Daily Papers

Grokking, the sudden generalization that occurs after prolonged overfitting, is a surprising phenomenon challenging our understanding of deep learning. Although significant progress has been made in understanding grokking, the reasons behind the delayed generalization and its dependence on regularization remain unclear. In this work, we argue that without regularization, grokking tasks push models to the edge of numerical stability, introducing floating point errors in the Softmax function, which we refer to as Softmax Collapse (SC). We demonstrate that SC prevents grokking and that mitigating SC enables grokking without regularization. Investigating the root cause of SC, we find that beyond the point of overfitting, the gradients strongly align with what we call the na\"ive loss minimization (NLM) direction. This component of the gradient does not alter the model's predictions but decreases the loss by scaling the logits, typically by scaling the weights along their current direction. We show that this scaling of the logits explains the delay in generalization characteristic of grokking and eventually leads to SC, halting further learning. To validate our hypotheses, we introduce two key contributions that address the challenges in grokking tasks: StableMax, a new activation function that prevents SC and enables grokking without regularization, and perpGrad, a training algorithm that promotes quick generalization in grokking tasks by preventing NLM altogether. These contributions provide new insights into grokking, elucidating its delayed generalization, reliance on regularization, and the effectiveness of existing grokking-inducing methods. Code for this paper is available at https://github.com/LucasPrietoAl/grokking-at-the-edge-of-numerical-stability.

While language models have exceptional capabilities at text generation, they lack a natural inductive bias for emitting numbers and thus struggle in tasks involving reasoning over quantities, especially arithmetics. This has particular relevance in scientific datasets where combinations of text and numerical data are abundant. One fundamental limitation is the nature of the CE loss, which assumes a nominal (categorical) scale and thus cannot convey proximity between generated number tokens. As a remedy, we here present two versions of a number token loss. The first is based on an L_p loss between the ground truth token value and the weighted sum of the predicted class probabilities. The second loss minimizes the Wasserstein-1 distance between the distribution of the predicted output probabilities and the ground truth distribution. These regression-like losses can easily be added to any language model and extend the CE objective during training. We compare the proposed schemes on a mathematics dataset against existing tokenization, encoding, and decoding schemes for improving number representation in language models. Our results reveal a significant improvement in numerical accuracy when equipping a standard T5 model with the proposed loss schemes.

While large language models (LLMs) have achieved remarkable performance across a wide range of tasks, their massive scale incurs prohibitive computational and memory costs for pre-training from scratch. Recent studies have investigated the use of low-rank parameterization as a means of reducing model size and training cost. In this context, sparsity is often employed as a complementary technique to recover important information lost in low-rank compression by capturing salient features in the residual space. However, existing approaches typically combine low-rank and sparse components in a simplistic or ad hoc manner, often resulting in undesirable performance degradation compared to full-rank training. In this paper, we propose LOw-rank and Sparse pre-Training (LOST) for LLMs, a novel method that ingeniously integrates low-rank and sparse structures to enable effective training of LLMs from scratch under strict efficiency constraints. LOST applies singular value decomposition to weight matrices, preserving the dominant low-rank components, while allocating the remaining singular values to construct channel-wise sparse components to complement the expressiveness of low-rank training. We evaluate LOST on LLM pretraining ranging from 60M to 7B parameters. Our experiments show that LOST achieves competitive or superior performance compared to full-rank models, while significantly reducing both memory and compute overhead. Moreover, Code is available at https://github.com/JiaxiLi1/LOST-Low-rank-and-Sparse-Training-for-Large-Language-Models{LOST Repo}

The standard normalization method for neural network (NN) models used in Natural Language Processing (NLP) is layer normalization (LN). This is different than batch normalization (BN), which is widely-adopted in Computer Vision. The preferred use of LN in NLP is principally due to the empirical observation that a (naive/vanilla) use of BN leads to significant performance degradation for NLP tasks; however, a thorough understanding of the underlying reasons for this is not always evident. In this paper, we perform a systematic study of NLP transformer models to understand why BN has a poor performance, as compared to LN. We find that the statistics of NLP data across the batch dimension exhibit large fluctuations throughout training. This results in instability, if BN is naively implemented. To address this, we propose Power Normalization (PN), a novel normalization scheme that resolves this issue by (i) relaxing zero-mean normalization in BN, (ii) incorporating a running quadratic mean instead of per batch statistics to stabilize fluctuations, and (iii) using an approximate backpropagation for incorporating the running statistics in the forward pass. We show theoretically, under mild assumptions, that PN leads to a smaller Lipschitz constant for the loss, compared with BN. Furthermore, we prove that the approximate backpropagation scheme leads to bounded gradients. We extensively test PN for transformers on a range of NLP tasks, and we show that it significantly outperforms both LN and BN. In particular, PN outperforms LN by 0.4/0.6 BLEU on IWSLT14/WMT14 and 5.6/3.0 PPL on PTB/WikiText-103. We make our code publicly available at https://github.com/sIncerass/powernorm.

With the increase in the number of parameters in large language models, the process of pre-training and fine-tuning increasingly demands larger volumes of GPU memory. A significant portion of this memory is typically consumed by the optimizer state. To overcome this challenge, recent approaches such as low-rank adaptation (LoRA (Hu et al., 2021)), low-rank gradient projection (GaLore (Zhao et al., 2024)), and blockwise optimization (BAdam (Luo et al., 2024)) have been proposed. However, in all these algorithms, the effective rank of the weight updates remains low-rank, which can lead to a substantial loss of information from the gradient. This loss can be critically important, especially during the pre-training stage. In this paper, we introduce FRUGAL (Full-Rank Updates with GrAdient spLitting), a new memory-efficient optimization framework. FRUGAL leverages gradient splitting to perform low-dimensional updates using advanced algorithms (such as Adam), while updates along the remaining directions are executed via state-free methods like SGD or signSGD (Bernstein et al., 2018). Our framework can be integrated with various low-rank update selection techniques, including GaLore and BAdam. We provide theoretical convergence guarantees for our framework when using SGDM for low-dimensional updates and SGD for state-free updates. Additionally, our method consistently outperforms concurrent approaches across various fixed memory budgets, achieving state-of-the-art results in pre-training and fine-tuning tasks while balancing memory efficiency and performance metrics.

Large Language Models (LLMs) often memorize sensitive, private, or copyrighted data during pre-training. LLM unlearning aims to eliminate the influence of undesirable data from the pre-trained model while preserving the model's utilities on other tasks. Several practical methods have recently been proposed for LLM unlearning, mostly based on gradient ascent (GA) on the loss of undesirable data. However, on certain unlearning tasks, these methods either fail to effectively unlearn the target data or suffer from catastrophic collapse -- a drastic degradation of the model's utilities. In this paper, we propose Negative Preference Optimization (NPO), a simple alignment-inspired method that could efficiently and effectively unlearn a target dataset. We theoretically show that the progression toward catastrophic collapse by minimizing the NPO loss is exponentially slower than GA. Through experiments on synthetic data and the benchmark TOFU dataset, we demonstrate that NPO-based methods achieve a better balance between unlearning the undesirable data and maintaining the model's utilities. We also observe that NPO-based methods generate more sensible outputs than GA-based methods, whose outputs are often gibberish. Remarkably, on TOFU, NPO-based methods are the first to achieve reasonable unlearning results in forgetting 50% (or more) of the training data, whereas existing methods already struggle with forgetting 10% of training data.

Pretraining is the cornerstone of Large Language Models (LLMs), dominating the vast majority of computational budget and data to serve as the primary engine for their capabilities. During pretraining, LLMs acquire foundational knowledge from an unprecedentedly massive and diverse data sources, encompassing a vast array of domains such as general language, mathematics, code, and complex reasoning. In this work, we investigate an interesting geometric question regarding the converged state of pretraining: Does the model converge to a common minimizer across all data sources (e.g., fig:cwa_illustration:close), or merely a minimizer of the summed loss (e.g., fig:cwa_illustration:distant)? We hypothesize that the geometric "closeness" of task-specific minima is intrinsically linked to downstream generalization. We reveal that standard optimizers (e.g., AdamW) often converge to points where task-specific minima are distant from each other. To address this, we propose the Nexus optimizer, which encourages the closeness of these minima by maximizing gradient similarity during optimization. Experiments across models ranging from 130M to 3B parameters, various data mixtures and hyperparameter schedules, show that Nexus significantly boosts downstream performance, despite achieving the same pretraining loss (see fig:demo:benchmark). Notably, on the 3B model, Nexus reduces the out-of-distribution loss by 0.012 and yields up to a 15.0\% accuracy improvement on complex reasoning tasks (e.g., GSM8k). This finding challenges the reliance on pretraining loss as the sole proxy for model evaluation and demonstrates the importance of implicit biases in unlocking downstream generalization.

We present a novel family of language model (LM) estimation techniques named Sparse Non-negative Matrix (SNM) estimation. A first set of experiments empirically evaluating it on the One Billion Word Benchmark shows that SNM n-gram LMs perform almost as well as the well-established Kneser-Ney (KN) models. When using skip-gram features the models are able to match the state-of-the-art recurrent neural network (RNN) LMs; combining the two modeling techniques yields the best known result on the benchmark. The computational advantages of SNM over both maximum entropy and RNN LM estimation are probably its main strength, promising an approach that has the same flexibility in combining arbitrary features effectively and yet should scale to very large amounts of data as gracefully as n-gram LMs do.

Large language model pretraining is compute-intensive, yet many tokens contribute marginally to learning, resulting in inefficiency. We introduce Efficient Selective Language Modeling (ESLM), a risk-aware algorithm that improves training efficiency and distributional robustness by performing online token-level batch selection. ESLM leverages per-token statistics (e.g., entropy or loss) and applies value-at-risk thresholding to retain only the most informative tokens per batch. This data-centric mechanism reshapes the training loss, prioritizing high-risk tokens and eliminating redundant gradient computation. We frame ESLM as a bilevel game: the model competes with a masking adversary that selects worst-case token subsets under a constrained thresholding rule. In the loss-based setting, ESLM recovers conditional value-at-risk loss minimization, providing a principled connection to distributionally robust optimization. We extend our approach to Ada-ESLM, which adaptively tunes the selection confidence during training. Experiments on GPT-2 pretraining show that ESLM significantly reduces training FLOPs while maintaining or improving both perplexity and downstream performance compared to baselines. Our approach also scales across model sizes, pretraining corpora, and integrates naturally with knowledge distillation.

We introduce Gradient Descent with Adaptive Momentum Scaling (Grams), a novel optimization algorithm that decouples the direction and magnitude of parameter updates in deep learning. Unlike traditional optimizers that directly integrate momentum into updates, Grams separates the update direction, derived from current gradients, from momentum, which is used solely for adaptive magnitude scaling. This approach enables Grams to achieve improved loss descent compared to state-of-the-art cautious and momentum-based optimizers. We establish a global convergence guarantee for Grams and validate its effectiveness through extensive empirical evaluations. The results demonstrate Grams' superior performance, including faster convergence and better generalization, compared to widely-used optimizers such as Adam, Lion, and their cautious variants. Our results highlight Grams' potential as a transformative approach for efficient optimization in large-scale machine learning.

Matrix-based preconditioned optimizers, such as Muon, have recently been shown to be more efficient than scalar-based optimizers for training large-scale neural networks, including large language models (LLMs). On the other hand, recent benchmarks on optimizers for LLM pre-training have demonstrated that variance-reduction techniques such as MARS can achieve substantial speedups over standard optimizers that do not employ variance reduction. In this paper, to achieve the best of both worlds, we introduce MARS-M, a new optimizer that integrates the variance reduction technique in MARS with Muon. Under standard regularity conditions, we prove that Muon-M converges to a first-order stationary point at a rate of mathcal{O}(T^{-1/3}), which improves upon mathcal{O}(T^{-1/4}) rate attained by Muon. Our empirical results on language modeling and computer vision tasks demonstrate that MARS-M consistently yields lower losses and improved performance across various downstream benchmarks. The implementation of MARS-M is available at https://github.com/AGI-Arena/MARS/MARS_M.

Learning unnormalized statistical models (e.g., energy-based models) is computationally challenging due to the complexity of handling the partition function. To eschew this complexity, noise-contrastive estimation~(NCE) has been proposed by formulating the objective as the logistic loss of the real data and the artificial noise. However, as found in previous works, NCE may perform poorly in many tasks due to its flat loss landscape and slow convergence. In this paper, we study it a direct approach for optimizing the negative log-likelihood of unnormalized models from the perspective of compositional optimization. To tackle the partition function, a noise distribution is introduced such that the log partition function can be written as a compositional function whose inner function can be estimated with stochastic samples. Hence, the objective can be optimized by stochastic compositional optimization algorithms. Despite being a simple method, we demonstrate that it is more favorable than NCE by (1) establishing a fast convergence rate and quantifying its dependence on the noise distribution through the variance of stochastic estimators; (2) developing better results for one-dimensional Gaussian mean estimation by showing our objective has a much favorable loss landscape and hence our method enjoys faster convergence; (3) demonstrating better performance on multiple applications, including density estimation, out-of-distribution detection, and real image generation.

The fine-tuning of pre-trained large language models (LLMs) using reinforcement learning (RL) is generally formulated as direct policy optimization. This approach was naturally favored as it efficiently improves a pretrained LLM, seen as an initial policy. Another RL paradigm, Q-learning methods, has received far less attention in the LLM community while demonstrating major success in various non-LLM RL tasks. In particular, Q-learning effectiveness comes from its sample efficiency and ability to learn offline, which is particularly valuable given the high computational cost of sampling with LLMs. However, naively applying a Q-learning-style update to the model's logits is ineffective due to the specificity of LLMs. Our core contribution is to derive theoretically grounded loss functions from Bellman equations to adapt Q-learning methods to LLMs. To do so, we carefully adapt insights from the RL literature to account for LLM-specific characteristics, ensuring that the logits become reliable Q-value estimates. We then use this loss to build a practical algorithm, ShiQ for Shifted-Q, that supports off-policy, token-wise learning while remaining simple to implement. Finally, we evaluate ShiQ on both synthetic data and real-world benchmarks, e.g., UltraFeedback and BFCL-V3, demonstrating its effectiveness in both single-turn and multi-turn LLM settings

Training large language models (LLMs) efficiently while preserving model quality poses significant challenges, particularly with subbyte precision supported by state-of-the-art GPUs. Current mixed-precision training approaches either apply uniform precision to all GEMM operations or rely on heuristic-based methods that fail to generalize during training, leading to suboptimal convergence and instability. To address these challenges, this paper introduces SNIP, a fine-grained adaptive mixed-precision training framework for LLM pretraining that supports subbyte precision. SNIP periodically collects statistics on activations, gradients, and optimizer states to assess the precision loss impact on model quality. We define two key metrics: loss divergence in the forward pass, caused by quantization-induced increases in training loss, and weight divergence in the backward pass, which measures error propagation through gradients affecting model updates. These metrics guide an Integer Linear Programming (ILP) problem that systematically optimizes layerwise precision to minimize overall quality loss while meeting efficiency targets. Experiments on 1B, 3B, 7B and 70B Llama-like models demonstrate that SNIP consistently outperforms existing baselines, reducing FLOPs by up to 80% while preserving model quality across different model sizes and training phases with minimal computational overhead.

Entropy minimization (EM) trains the model to concentrate even more probability mass on its most confident outputs. We show that this simple objective alone, without any labeled data, can substantially improve large language models' (LLMs) performance on challenging math, physics, and coding tasks. We explore three approaches: (1) EM-FT minimizes token-level entropy similarly to instruction finetuning, but on unlabeled outputs drawn from the model; (2) EM-RL: reinforcement learning with negative entropy as the only reward to maximize; (3) EM-INF: inference-time logit adjustment to reduce entropy without any training data or parameter updates. On Qwen-7B, EM-RL, without any labeled data, achieves comparable or better performance than strong RL baselines such as GRPO and RLOO that are trained on 60K labeled examples. Furthermore, EM-INF enables Qwen-32B to match or exceed the performance of proprietary models like GPT-4o, Claude 3 Opus, and Gemini 1.5 Pro on the challenging SciCode benchmark, while being 3x more efficient than self-consistency and sequential refinement. Our findings reveal that many pretrained LLMs possess previously underappreciated reasoning capabilities that can be effectively elicited through entropy minimization alone, without any labeled data or even any parameter updates.

Levin Tree Search (LTS) is a search algorithm that makes use of a policy (a probability distribution over actions) and comes with a theoretical guarantee on the number of expansions before reaching a goal node, depending on the quality of the policy. This guarantee can be used as a loss function, which we call the LTS loss, to optimize neural networks representing the policy (LTS+NN). In this work we show that the neural network can be substituted with parameterized context models originating from the online compression literature (LTS+CM). We show that the LTS loss is convex under this new model, which allows for using standard convex optimization tools, and obtain convergence guarantees to the optimal parameters in an online setting for a given set of solution trajectories -- guarantees that cannot be provided for neural networks. The new LTS+CM algorithm compares favorably against LTS+NN on several benchmarks: Sokoban (Boxoban), The Witness, and the 24-Sliding Tile puzzle (STP). The difference is particularly large on STP, where LTS+NN fails to solve most of the test instances while LTS+CM solves each test instance in a fraction of a second. Furthermore, we show that LTS+CM is able to learn a policy that solves the Rubik's cube in only a few hundred expansions, which considerably improves upon previous machine learning techniques.

Aligning language models (LMs) with preferences is an important problem in natural language generation. A key challenge is that preferences are typically provided at the sequence level while LM training and generation both occur at the token level. There is, therefore, a granularity mismatch between the preference and the LM training losses, which may complicate the learning problem. In this paper, we address this issue by developing an alternate training process, where we iterate between grounding the sequence-level preference into token-level training guidance, and improving the LM with the learned guidance. For guidance learning, we design a framework that extends the pairwise-preference learning in imitation learning to both variable-length LM generation and utilizing the preference among multiple generations. For LM training, based on the amount of supervised data, we present two minimalist learning objectives that utilize the learned guidance. In experiments, our method performs competitively on two distinct representative LM tasks -- discrete-prompt generation and text summarization.

We propose sparsemax, a new activation function similar to the traditional softmax, but able to output sparse probabilities. After deriving its properties, we show how its Jacobian can be efficiently computed, enabling its use in a network trained with backpropagation. Then, we propose a new smooth and convex loss function which is the sparsemax analogue of the logistic loss. We reveal an unexpected connection between this new loss and the Huber classification loss. We obtain promising empirical results in multi-label classification problems and in attention-based neural networks for natural language inference. For the latter, we achieve a similar performance as the traditional softmax, but with a selective, more compact, attention focus.

Despite the rapid development of large language models (LLMs), a fundamental challenge persists: the lack of high-quality optimization modeling datasets hampers LLMs' robust modeling of practical optimization problems from natural language descriptions (NL). This data scarcity also contributes to the generalization difficulties experienced by learning-based methods. To address these challenges, we propose a scalable framework for synthesizing a high-quality dataset, named OptMATH. Starting from curated seed data with mathematical formulations (MF), this framework automatically generates problem data (PD) with controllable complexity. Then, a back-translation step is employed to obtain NL. To verify the correspondence between the NL and the PD, a forward modeling step followed by rejection sampling is used. The accepted pairs constitute the training part of OptMATH. Then a collection of rejected pairs is identified and further filtered. This collection serves as a new benchmark for optimization modeling, containing difficult instances whose lengths are much longer than these of NL4OPT and MAMO. Through extensive experiments, we demonstrate that models of various sizes (0.5B-32B parameters) trained on OptMATH achieve superior results on multiple modeling benchmarks, thereby validating the effectiveness and scalability of our approach. Our dataset is publicly available at https://github.com/AuroraLHL/OptMATH.

This paper establishes a mathematical foundation for the Adam optimizer, elucidating its connection to natural gradient descent through Riemannian and information geometry. We rigorously analyze the diagonal empirical Fisher information matrix (FIM) in Adam, clarifying all detailed approximations and advocating for the use of log probability functions as loss, which should be based on discrete distributions, due to the limitations of empirical FIM. Our analysis uncovers flaws in the original Adam algorithm, leading to proposed corrections such as enhanced momentum calculations, adjusted bias corrections, and gradient clipping. We refine the weight decay term based on our theoretical framework. Our modified algorithm, Fisher Adam (FAdam), demonstrates superior performance across diverse domains including LLM, ASR, and VQ-VAE, achieving state-of-the-art results in ASR.

Recent research shows that the dynamics of an infinitely wide neural network (NN) trained by gradient descent can be characterized by Neural Tangent Kernel (NTK) jacot2018neural. Under the squared loss, the infinite-width NN trained by gradient descent with an infinitely small learning rate is equivalent to kernel regression with NTK arora2019exact. However, the equivalence is only known for ridge regression currently arora2019harnessing, while the equivalence between NN and other kernel machines (KMs), e.g. support vector machine (SVM), remains unknown. Therefore, in this work, we propose to establish the equivalence between NN and SVM, and specifically, the infinitely wide NN trained by soft margin loss and the standard soft margin SVM with NTK trained by subgradient descent. Our main theoretical results include establishing the equivalences between NNs and a broad family of ell_2 regularized KMs with finite-width bounds, which cannot be handled by prior work, and showing that every finite-width NN trained by such regularized loss functions is approximately a KM. Furthermore, we demonstrate our theory can enable three practical applications, including (i) non-vacuous generalization bound of NN via the corresponding KM; (ii) non-trivial robustness certificate for the infinite-width NN (while existing robustness verification methods would provide vacuous bounds); (iii) intrinsically more robust infinite-width NNs than those from previous kernel regression. Our code for the experiments is available at https://github.com/leslie-CH/equiv-nn-svm.

Pretraining large language models (LLMs) on vast and heterogeneous datasets is crucial for achieving state-of-the-art performance across diverse downstream tasks. However, current training paradigms treat all samples equally, overlooking the importance or relevance of individual samples throughout the training process. Existing reweighting strategies, which primarily focus on group-level data importance, fail to leverage fine-grained instance-level information and do not adapt dynamically to individual sample importance as training progresses. In this paper, we introduce novel algorithms for dynamic, instance-level data reweighting aimed at improving both the efficiency and effectiveness of LLM pretraining. Our methods adjust the weight of each training sample based on its loss value in an online fashion, allowing the model to dynamically focus on more informative or important samples at the current training stage. In particular, our framework allows us to systematically devise reweighting strategies deprioritizing redundant or uninformative data, which we find tend to work best. Furthermore, we develop a new theoretical framework for analyzing the impact of loss-based reweighting on the convergence of gradient-based optimization, providing the first formal characterization of how these strategies affect convergence bounds. We empirically validate our approach across a spectrum of tasks, from pretraining 7B and 1.4B parameter LLMs to smaller-scale language models and linear regression problems, demonstrating that our loss-based reweighting approach can lead to faster convergence and significantly improved performance.

The rapid progress of large language models (LLMs) is increasingly constrained by memory and deployment costs, motivating compression methods for practical deployment. Many state-of-the-art compression pipelines leverage the low-rank structure of trained weight matrices, a phenomenon often associated with the properties of popular optimizers such as Adam. In this context, Muon is a recently proposed optimizer that improves LLM pretraining via full-rank update steps, but its induced weight-space structure has not been characterized yet. In this work, we report a surprising empirical finding: despite imposing full-rank updates, Muon-trained models exhibit pronounced low-rank structure in their weight matrices and are readily compressible under standard pipelines. Motivated by this insight, we propose NuMuon, which augments Muon with a nuclear-norm constraint on the update direction, further constraining the learned weights toward low-rank structure. Across billion-parameter-scale models, we show that NuMuon increases weight compressibility and improves post-compression model quality under state-of-the-art LLM compression pipelines while retaining Muon's favorable convergence behavior.

Training a modern machine learning architecture on a new task requires extensive learning-rate tuning, which comes at a high computational cost. Here we develop new adaptive learning rates that can be used with any momentum method, and require less tuning to perform well. We first develop MoMo, a Momentum Model based adaptive learning rate for SGD-M (Stochastic gradient descent with momentum). MoMo uses momentum estimates of the batch losses and gradients sampled at each iteration to build a model of the loss function. Our model also makes use of any known lower bound of the loss function by using truncation, e.g. most losses are lower-bounded by zero. We then approximately minimize this model at each iteration to compute the next step. We show how MoMo can be used in combination with any momentum-based method, and showcase this by developing MoMo-Adam - which is Adam with our new model-based adaptive learning rate. Additionally, for losses with unknown lower bounds, we develop on-the-fly estimates of a lower bound, that are incorporated in our model. Through extensive numerical experiments, we demonstrate that MoMo and MoMo-Adam improve over SGD-M and Adam in terms of accuracy and robustness to hyperparameter tuning for training image classifiers on MNIST, CIFAR10, CIFAR100, Imagenet, recommender systems on the Criteo dataset, and a transformer model on the translation task IWSLT14.

As Large Language Models (LLMs) grow dramatically in size, there is an increasing trend in compressing and speeding up these models. Previous studies have highlighted the usefulness of gradients for importance scoring in neural network compressing, especially in pruning medium-size networks. However, the substantial memory requirements involved in calculating gradients with backpropagation impede the utilization of gradients in guiding LLM pruning. As a result, most pruning strategies for LLMs rely on gradient-free criteria, such as weight magnitudes or a mix of magnitudes and activations. In this paper, we devise a hybrid pruning criterion, which appropriately integrates magnitude, activation, and gradient to capitalize on feature map sensitivity for pruning LLMs. To overcome memory requirement barriers, we estimate gradients using only forward passes. Based on this, we propose a Memory-effIcieNt structured prunIng procedure for LLMs (MINI-LLM) to remove no-critical channels and multi-attention heads. Experimental results demonstrate the superior performance of MINI-LLM over existing gradient-free methods on three LLMs: LLaMA, BLOOM, and OPT across various downstream tasks (classification, multiple-choice, and generation), while MINI-LLM maintains a GPU memory footprint akin to gradient-free methods.

This work studies the general principles of improving the learning of language models (LMs), which aims at reducing the necessary training steps for achieving superior performance. Specifically, we present a theory for the optimal learning of LMs. We first propose an objective that optimizes LM learning by maximizing the data compression ratio in an "LM-training-as-lossless-compression" view. Then, we derive a theorem, named Learning Law, to reveal the properties of the dynamics in the optimal learning process under our objective. The theorem is then validated by experiments on a linear classification and a real-world language modeling task. Finally, we empirically verify that the optimal learning of LMs essentially stems from the improvement of the coefficients in the scaling law of LMs, indicating great promise and significance for designing practical learning acceleration methods. Our code can be found at https://aka.ms/LearningLaw.

We study the problem of classification with a reject option for a fixed predictor, applicable in natural language processing. We introduce a new problem formulation for this scenario, and an algorithm minimizing a new surrogate loss function. We provide a complete theoretical analysis of the surrogate loss function with a strong H-consistency guarantee. For evaluation, we choose the decontextualization task, and provide a manually-labelled dataset of 2mathord,000 examples. Our algorithm significantly outperforms the baselines considered, with a sim!!25% improvement in coverage when halving the error rate, which is only sim!! 3 % away from the theoretical limit.

In today's heavily overparameterized models, the value of the training loss provides few guarantees on model generalization ability. Indeed, optimizing only the training loss value, as is commonly done, can easily lead to suboptimal model quality. Motivated by prior work connecting the geometry of the loss landscape and generalization, we introduce a novel, effective procedure for instead simultaneously minimizing loss value and loss sharpness. In particular, our procedure, Sharpness-Aware Minimization (SAM), seeks parameters that lie in neighborhoods having uniformly low loss; this formulation results in a min-max optimization problem on which gradient descent can be performed efficiently. We present empirical results showing that SAM improves model generalization across a variety of benchmark datasets (e.g., CIFAR-10, CIFAR-100, ImageNet, finetuning tasks) and models, yielding novel state-of-the-art performance for several. Additionally, we find that SAM natively provides robustness to label noise on par with that provided by state-of-the-art procedures that specifically target learning with noisy labels. We open source our code at https://github.com/google-research/sam.

Learning to Rank (LTR) algorithms are usually evaluated using Information Retrieval metrics like Normalised Discounted Cumulative Gain (NDCG) or Mean Average Precision. As these metrics rely on sorting predicted items' scores (and thus, on items' ranks), their derivatives are either undefined or zero everywhere. This makes them unsuitable for gradient-based optimisation, which is the usual method of learning appropriate scoring functions. Commonly used LTR loss functions are only loosely related to the evaluation metrics, causing a mismatch between the optimisation objective and the evaluation criterion. In this paper, we address this mismatch by proposing NeuralNDCG, a novel differentiable approximation to NDCG. Since NDCG relies on the non-differentiable sorting operator, we obtain NeuralNDCG by relaxing that operator using NeuralSort, a differentiable approximation of sorting. As a result, we obtain a new ranking loss function which is an arbitrarily accurate approximation to the evaluation metric, thus closing the gap between the training and the evaluation of LTR models. We introduce two variants of the proposed loss function. Finally, the empirical evaluation shows that our proposed method outperforms previous work aimed at direct optimisation of NDCG and is competitive with the state-of-the-art methods.

Offline preference optimization is a key method for enhancing and controlling the quality of Large Language Model (LLM) outputs. Typically, preference optimization is approached as an offline supervised learning task using manually-crafted convex loss functions. While these methods are based on theoretical insights, they are inherently constrained by human creativity, so the large search space of possible loss functions remains under explored. We address this by performing LLM-driven objective discovery to automatically discover new state-of-the-art preference optimization algorithms without (expert) human intervention. Specifically, we iteratively prompt an LLM to propose and implement new preference optimization loss functions based on previously-evaluated performance metrics. This process leads to the discovery of previously-unknown and performant preference optimization algorithms. The best performing of these we call Discovered Preference Optimization (DiscoPOP), a novel algorithm that adaptively blends logistic and exponential losses. Experiments demonstrate the state-of-the-art performance of DiscoPOP and its successful transfer to held-out tasks.

The ever-increasing large language models (LLMs), though opening a potential path for the upcoming artificial general intelligence, sadly drops a daunting obstacle on the way towards their on-device deployment. As one of the most well-established pre-LLMs approaches in reducing model complexity, network pruning appears to lag behind in the era of LLMs, due mostly to its costly fine-tuning (or re-training) necessity under the massive volumes of model parameter and training data. To close this industry-academia gap, we introduce Dynamic Sparse No Training (DSnoT), a training-free fine-tuning approach that slightly updates sparse LLMs without the expensive backpropagation and any weight updates. Inspired by the Dynamic Sparse Training, DSnoT minimizes the reconstruction error between the dense and sparse LLMs, in the fashion of performing iterative weight pruning-and-growing on top of sparse LLMs. To accomplish this purpose, DSnoT particularly takes into account the anticipated reduction in reconstruction error for pruning and growing, as well as the variance w.r.t. different input data for growing each weight. This practice can be executed efficiently in linear time since its obviates the need of backpropagation for fine-tuning LLMs. Extensive experiments on LLaMA-V1/V2, Vicuna, and OPT across various benchmarks demonstrate the effectiveness of DSnoT in enhancing the performance of sparse LLMs, especially at high sparsity levels. For instance, DSnoT is able to outperform the state-of-the-art Wanda by 26.79 perplexity at 70% sparsity with LLaMA-7B. Our paper offers fresh insights into how to fine-tune sparse LLMs in an efficient training-free manner and open new venues to scale the great potential of sparsity to LLMs. Codes are available at https://github.com/zyxxmu/DSnoT.

This paper studies generalization capabilities of neural networks (NNs) using new and improved PyTorch library Loss Landscape Analysis (LLA). LLA facilitates visualization and analysis of loss landscapes along with the properties of NN Hessian. Different approaches to NN loss landscape plotting are discussed with particular focus on normalization techniques showing that conventional methods cannot always ensure correct visualization when batch normalization layers are present in NN architecture. The use of Hessian axes is shown to be able to mitigate this effect, and methods for choosing Hessian axes are proposed. In addition, spectra of Hessian eigendecomposition are studied and it is shown that typical spectra exist for a wide range of NNs. This allows to propose quantitative criteria for Hessian analysis that can be applied to evaluate NN performance and assess its generalization capabilities. Generalization experiments are conducted using ImageNet-1K pre-trained models along with several models trained as part of this study. The experiment include training models on one dataset and testing on another one to maximize experiment similarity to model performance in the Wild. It is shown that when datasets change, the changes in criteria correlate with the changes in accuracy, making the proposed criteria a computationally efficient estimate of generalization ability, which is especially useful for extremely large datasets.

Recent innovations on hardware (e.g. Nvidia A100) have motivated learning N:M structured sparsity masks from scratch for fast model inference. However, state-of-the-art learning recipes in this regime (e.g. SR-STE) are proposed for non-adaptive optimizers like momentum SGD, while incurring non-trivial accuracy drop for Adam-trained models like attention-based LLMs. In this paper, we first demonstrate such gap origins from poorly estimated second moment (i.e. variance) in Adam states given by the masked weights. We conjecture that learning N:M masks with Adam should take the critical regime of variance estimation into account. In light of this, we propose STEP, an Adam-aware recipe that learns N:M masks with two phases: first, STEP calculates a reliable variance estimate (precondition phase) and subsequently, the variance remains fixed and is used as a precondition to learn N:M masks (mask-learning phase). STEP automatically identifies the switching point of two phases by dynamically sampling variance changes over the training trajectory and testing the sample concentration. Empirically, we evaluate STEP and other baselines such as ASP and SR-STE on multiple tasks including CIFAR classification, machine translation and LLM fine-tuning (BERT-Base, GPT-2). We show STEP mitigates the accuracy drop of baseline recipes and is robust to aggressive structured sparsity ratios.

Large Language Models (LLMs) achieve competitive performance across diverse natural language processing (NLP) tasks, yet pretraining is computationally demanding, making optimizer efficiency an important practical consideration. Muon accelerates LLM pretraining via orthogonal momentum updates that serve as a matrix analogue of the element-wise sign operator. Motivated by the recent perspective that Adam is a variance-adaptive sign update algorithm, we propose two variants of Muon, Muon-NSR and Muon-VS, which apply variance-adaptive normalization to momentum before orthogonalization. Muon-NSR applies noise-to-signal ratio (NSR) modulation, while Muon-VS performs variance-based scaling without introducing additional hyperparameters. Experiments on GPT-2 and LLaMA pretraining demonstrate that our proposed methods accelerate convergence and consistently achieve lower validation loss than both competitive, well-tuned AdamW and Muon baselines. For example, on the LLaMA-1.2B model, Muon-NSR and Muon-VS reduce the iterations required to reach the target validation loss by 1.36times relative to the well-tuned Muon following the recent benchmark.

Model-Agnostic Meta-Learning (MAML) has become increasingly popular for training models that can quickly adapt to new tasks via one or few stochastic gradient descent steps. However, the MAML objective is significantly more difficult to optimize compared to standard non-adaptive learning (NAL), and little is understood about how much MAML improves over NAL in terms of the fast adaptability of their solutions in various scenarios. We analytically address this issue in a linear regression setting consisting of a mixture of easy and hard tasks, where hardness is related to the rate that gradient descent converges on the task. Specifically, we prove that in order for MAML to achieve substantial gain over NAL, (i) there must be some discrepancy in hardness among the tasks, and (ii) the optimal solutions of the hard tasks must be closely packed with the center far from the center of the easy tasks optimal solutions. We also give numerical and analytical results suggesting that these insights apply to two-layer neural networks. Finally, we provide few-shot image classification experiments that support our insights for when MAML should be used and emphasize the importance of training MAML on hard tasks in practice.

Existing language models (LMs) predict tokens with a softmax over a finite vocabulary, which can make it difficult to predict rare tokens or phrases. We introduce NPM, the first nonparametric masked language model that replaces this softmax with a nonparametric distribution over every phrase in a reference corpus. We show that NPM can be efficiently trained with a contrastive objective and an in-batch approximation to full corpus retrieval. Zero-shot evaluation on 9 closed-set tasks and 7 open-set tasks demonstrates that NPM outperforms significantly larger parametric models, either with or without a retrieve-and-generate approach. It is particularly better on dealing with rare patterns (word senses or facts), and predicting rare or nearly unseen words (e.g., non-Latin script). We release the model and code at github.com/facebookresearch/NPM.

Large Language Models (LLMs) are distinguished by their massive parameter counts, which typically result in significant redundancy. This work introduces MaskLLM, a learnable pruning method that establishes Semi-structured (or ``N:M'') Sparsity in LLMs, aimed at reducing computational overhead during inference. Instead of developing a new importance criterion, MaskLLM explicitly models N:M patterns as a learnable distribution through Gumbel Softmax sampling. This approach facilitates end-to-end training on large-scale datasets and offers two notable advantages: 1) High-quality Masks - our method effectively scales to large datasets and learns accurate masks; 2) Transferability - the probabilistic modeling of mask distribution enables the transfer learning of sparsity across domains or tasks. We assessed MaskLLM using 2:4 sparsity on various LLMs, including LLaMA-2, Nemotron-4, and GPT-3, with sizes ranging from 843M to 15B parameters, and our empirical results show substantial improvements over state-of-the-art methods. For instance, leading approaches achieve a perplexity (PPL) of 10 or greater on Wikitext compared to the dense model's 5.12 PPL, but MaskLLM achieves a significantly lower 6.72 PPL solely by learning the masks with frozen weights. Furthermore, MaskLLM's learnable nature allows customized masks for lossless application of 2:4 sparsity to downstream tasks or domains. Code is available at https://github.com/NVlabs/MaskLLM.

Despite the recent progresses, particularly in developing Language Models, there are fundamental challenges and unanswered questions about how such models can continually learn/memorize, self-improve, and find effective solutions. In this paper, we present a new learning paradigm, called Nested Learning (NL), that coherently represents a machine learning model with a set of nested, multi-level, and/or parallel optimization problems, each of which with its own context flow. Through the lenses of NL, existing deep learning methods learns from data through compressing their own context flow, and in-context learning naturally emerges in large models. NL suggests a philosophy to design more expressive learning algorithms with more levels, resulting in higher-order in-context learning and potentially unlocking effective continual learning capabilities. We advocate for NL by presenting three core contributions: (1) Expressive Optimizers: We show that known gradient-based optimizers, such as Adam, SGD with Momentum, etc., are in fact associative memory modules that aim to compress the gradients' information (by gradient descent). Building on this insight, we present other more expressive optimizers with deep memory and/or more powerful learning rules; (2) Self-Modifying Learning Module: Taking advantage of NL's insights on learning algorithms, we present a sequence model that learns how to modify itself by learning its own update algorithm; and (3) Continuum Memory System: We present a new formulation for memory system that generalizes the traditional viewpoint of long/short-term memory. Combining our self-modifying sequence model with the continuum memory system, we present a continual learning module, called Hope, showing promising results in language modeling, knowledge incorporation, and few-shot generalization tasks, continual learning, and long-context reasoning tasks.

Likelihood training and maximization-based decoding result in dull and repetitive generated texts even when using powerful language models (Holtzman et al., 2019). Adding a loss function for regularization was shown to improve text generation output by helping avoid unwanted properties, such as contradiction or repetition (Li at al., 2020). In this work, we propose fine-tuning a language model by using policy gradient reinforcement learning, directly optimizing for better generation. We apply this approach to minimizing repetition in generated text, and show that, when combined with unlikelihood training (Welleck et al., 2020), our method further reduces repetition without impacting the language model quality. We also evaluate other methods for improving generation at training and decoding time, and compare them using various metrics aimed at control for better text generation output.

Many evaluation metrics can be used to assess the performance of models in binary classification tasks. However, most of them are derived from a confusion matrix in a non-differentiable form, making it very difficult to generate a differentiable loss function that could directly optimize them. The lack of solutions to bridge this challenge not only hinders our ability to solve difficult tasks, such as imbalanced learning, but also requires the deployment of computationally expensive hyperparameter search processes in model selection. In this paper, we propose a general-purpose approach that transforms any confusion matrix-based metric into a loss function, AnyLoss, that is available in optimization processes. To this end, we use an approximation function to make a confusion matrix represented in a differentiable form, and this approach enables any confusion matrix-based metric to be directly used as a loss function. The mechanism of the approximation function is provided to ensure its operability and the differentiability of our loss functions is proved by suggesting their derivatives. We conduct extensive experiments under diverse neural networks with many datasets, and we demonstrate their general availability to target any confusion matrix-based metrics. Our method, especially, shows outstanding achievements in dealing with imbalanced datasets, and its competitive learning speed, compared to multiple baseline models, underscores its efficiency.

Quantization has significantly improved the compute and memory efficiency of Large Language Model (LLM) training. However, existing approaches still rely on accumulating their updates in high-precision: concretely, gradient updates must be applied to a high-precision weight buffer, known as master weights. This buffer introduces substantial memory overhead, particularly for Sparse Mixture of Experts (SMoE) models, where model parameters and optimizer states dominate memory usage. To address this, we introduce the Error-Compensating Optimizer (ECO), which eliminates master weights by applying updates directly to quantized parameters. ECO quantizes weights after each step and carefully injects the resulting quantization error into the optimizer momentum, forming an error-feedback loop with no additional memory. We prove that, under standard assumptions and a decaying learning rate, ECO converges to a constant-radius neighborhood of the optimum, while naive master-weight removal can incur an error that is inversely proportional to the learning rate. We show empirical results for pretraining small Transformers (30-800M), a Gemma-3 1B model, and a 2.1B parameter Sparse MoE model with FP8 quantization, and fine-tuning DeepSeek-MoE-16B in INT4 precision. Throughout, ECO matches baselines with master weights up to near-lossless accuracy, significantly shifting the static memory vs validation loss Pareto frontier.

While spectral-based optimizers like Muon operate directly on the spectrum of updates, standard adaptive methods such as AdamW do not account for the global spectral structure of weights and gradients, leaving them vulnerable to two empirical issues in large language model (LLM) training: (i) the optimizer updates can have large spectral norms, potentially destabilizing training and degrading generalization; (ii) stochastic gradient noise can exhibit sparse spectral spikes, with a few dominant singular values much larger than the rest. We propose SPECTRA, a general framework addressing these by (i) post-spectral clipping of updates to enforce spectral-norm constraints; (ii) optional pre-spectral clipping of gradients to suppress spectral noise spikes. We prove that post-clipping constitutes a Composite Frank-Wolfe method with spectral-norm constraints and weight regularization, recovering Frobenius and ell_{infty}-norm regularization with SGD-based and sign-based methods. We further analyze how pre-clipping mitigates sparse spectral spikes. We propose efficient soft spectral clipping via Newton-Schulz iterations, avoiding expensive SVD. Experiments on LLM pretraining show SPECTRA uniformly improves validation loss for various optimizers, including AdamW, Signum, and AdEMAMix, with the best-performing variants achieving state-of-the-art results. Models trained with SPECTRA exhibit smaller weight norms, confirming the link between spectral clipping and regularization.

Beyond minimizing a single training loss, many deep learning estimation pipelines rely on an auxiliary objective to quantify and encourage desirable properties of the model (e.g. performance on another dataset, robustness, agreement with a prior). Although the simplest approach to incorporating an auxiliary loss is to sum it with the training loss as a regularizer, recent works have shown that one can improve performance by blending the gradients beyond a simple sum; this is known as gradient surgery. We cast the problem as a constrained minimization problem where the auxiliary objective is minimized among the set of minimizers of the training loss. To solve this bilevel problem, we follow a parameter update direction that combines the training loss gradient and the orthogonal projection of the auxiliary gradient to the training gradient. In a setting where gradients come from mini-batches, we explain how, using a moving average of the training loss gradients, we can carefully maintain this critical orthogonality property. We demonstrate that our method, Bloop, can lead to much better performances on NLP and vision experiments than other gradient surgery methods without EMA.

Diffusion models have recently been extended to language generation through Masked Diffusion Language Models (MDLMs), which achieve performance competitive with strong autoregressive models. However, MDLMs tend to degrade in the few-step regime and cannot directly adopt existing few-step distillation methods designed for continuous diffusion models, as they lack the intrinsic property of mapping from noise to data. Recent Uniform-state Diffusion Models (USDMs), initialized from a uniform prior, alleviate some limitations but still suffer from complex loss formulations that hinder scalability. In this work, we propose a simplified denoising-based loss for USDMs that optimizes only noise-replaced tokens, stabilizing training and matching ELBO-level performance. Furthermore, by framing denoising as self-supervised learning, we introduce a simple modification to our denoising loss with contrastive-inspired negative gradients, which is practical and yield additional improvements in generation quality.

Momentum based optimizers are central to a wide range of machine learning applications. These typically rely on an Exponential Moving Average (EMA) of gradients, which decays exponentially the present contribution of older gradients. This accounts for gradients being local linear approximations which lose their relevance as the iterate moves along the loss landscape. This work questions the use of a single EMA to accumulate past gradients and empirically demonstrates how this choice can be sub-optimal: a single EMA cannot simultaneously give a high weight to the immediate past, and a non-negligible weight to older gradients. Building on this observation, we propose AdEMAMix, a simple modification of the Adam optimizer with a mixture of two EMAs to better take advantage of past gradients. Our experiments on language modeling and image classification show -- quite surprisingly -- that gradients can stay relevant for tens of thousands of steps. They help to converge faster, and often to lower minima: e.g., a 1.3B parameter AdEMAMix LLM trained on 101B tokens performs comparably to an AdamW model trained on 197B tokens (+95%). Moreover, our method significantly slows-down model forgetting during training. Our work motivates further exploration of different types of functions to leverage past gradients, beyond EMAs.

In this work, we propose a novel method (GLOV) enabling Large Language Models (LLMs) to act as implicit Optimizers for Vision-Langugage Models (VLMs) to enhance downstream vision tasks. Our GLOV meta-prompts an LLM with the downstream task description, querying it for suitable VLM prompts (e.g., for zero-shot classification with CLIP). These prompts are ranked according to a purity measure obtained through a fitness function. In each respective optimization step, the ranked prompts are fed as in-context examples (with their accuracies) to equip the LLM with the knowledge of the type of text prompts preferred by the downstream VLM. Furthermore, we also explicitly steer the LLM generation process in each optimization step by specifically adding an offset difference vector of the embeddings from the positive and negative solutions found by the LLM, in previous optimization steps, to the intermediate layer of the network for the next generation step. This offset vector steers the LLM generation toward the type of language preferred by the downstream VLM, resulting in enhanced performance on the downstream vision tasks. We comprehensively evaluate our GLOV on 16 diverse datasets using two families of VLMs, i.e., dual-encoder (e.g., CLIP) and encoder-decoder (e.g., LLaVa) models -- showing that the discovered solutions can enhance the recognition performance by up to 15.0% and 57.5% (3.8% and 21.6% on average) for these models.

Classical machine learning models such as deep neural networks are usually trained by using Stochastic Gradient Descent-based (SGD) algorithms. The classical SGD can be interpreted as a discretization of the stochastic gradient flow. In this paper we propose a novel, robust and accelerated stochastic optimizer that relies on two key elements: (1) an accelerated Nesterov-like Stochastic Differential Equation (SDE) and (2) its semi-implicit Gauss-Seidel type discretization. The convergence and stability of the obtained method, referred to as NAG-GS, are first studied extensively in the case of the minimization of a quadratic function. This analysis allows us to come up with an optimal learning rate in terms of the convergence rate while ensuring the stability of NAG-GS. This is achieved by the careful analysis of the spectral radius of the iteration matrix and the covariance matrix at stationarity with respect to all hyperparameters of our method. Further, we show that NAG- GS is competitive with state-of-the-art methods such as momentum SGD with weight decay and AdamW for the training of machine learning models such as the logistic regression model, the residual networks models on standard computer vision datasets, Transformers in the frame of the GLUE benchmark and the recent Vision Transformers.

Reinforcement learning (RL) is a promising approach for aligning large language models (LLMs) knowledge with sequential decision-making tasks. However, few studies have thoroughly investigated the impact on LLM agents capabilities of fine-tuning them with RL in a specific environment. In this paper, we propose a novel framework to analyze the sensitivity of LLMs to prompt formulations following RL training in a textual environment. Our findings reveal that the performance of LLMs degrades when faced with prompt formulations different from those used during the RL training phase. Besides, we analyze the source of this sensitivity by examining the model's internal representations and salient tokens. Finally, we propose to use a contrastive loss to mitigate this sensitivity and improve the robustness and generalization capabilities of LLMs.

Normalization layer constitutes an essential component in neural networks. In transformers, the predominantly used RMSNorm constrains vectors to a unit hypersphere, followed by dimension-wise rescaling through a learnable scaling coefficient γ to maintain the representational capacity of the model. However, RMSNorm discards the input norm information in forward pass and a static scaling factor γ may be insufficient to accommodate the wide variability of input data and distributional shifts, thereby limiting further performance improvements, particularly in zero-shot scenarios that large language models routinely encounter. To address this limitation, we propose SeeDNorm, which enhances the representational capability of the model by dynamically adjusting the scaling coefficient based on the current input, thereby preserving the input norm information and enabling data-dependent, self-rescaled dynamic normalization. During backpropagation, SeeDNorm retains the ability of RMSNorm to dynamically adjust gradient according to the input norm. We provide a detailed analysis of the training optimization for SeedNorm and proposed corresponding solutions to address potential instability issues that may arise when applying SeeDNorm. We validate the effectiveness of SeeDNorm across models of varying sizes in large language model pre-training as well as supervised and unsupervised computer vision tasks. By introducing a minimal number of parameters and with neglligible impact on model efficiency, SeeDNorm achieves consistently superior performance compared to previously commonly used normalization layers such as RMSNorm and LayerNorm, as well as element-wise activation alternatives to normalization layers like DyT.

Cross-entropy loss has long been the standard choice for training deep neural networks, yet it suffers from interpretability limitations, unbounded weight growth, and inefficiencies that can contribute to costly training dynamics. The harmonic loss is a distance-based alternative grounded in Euclidean geometry that improves interpretability and mitigates phenomena such as grokking, or delayed generalization on the test set. However, the study of harmonic loss remains narrow: only Euclidean distance is explored, and no systematic evaluation of computational efficiency or sustainability was conducted. We extend harmonic loss by systematically investigating a broad spectrum of distance metrics as replacements for the Euclidean distance. We comprehensively evaluate distance-tailored harmonic losses on both vision backbones and large language models. Our analysis is framed around a three-way evaluation of model performance, interpretability, and sustainability. On vision tasks, cosine distances provide the most favorable trade-off, consistently improving accuracy while lowering carbon emissions, whereas Bray-Curtis and Mahalanobis further enhance interpretability at varying efficiency costs. On language models, cosine-based harmonic losses improve gradient and learning stability, strengthen representation structure, and reduce emissions relative to cross-entropy and Euclidean heads. Our code is available at: https://anonymous.4open.science/r/rethinking-harmonic-loss-5BAB/.

We introduce novel variants of momentum by incorporating the variance of the stochastic loss function. The variance characterizes the confidence or uncertainty of the local features of the averaged loss surface across the i.i.d. subsets of the training data defined by the mini-batches. We show two applications of the gradient of the variance of the loss function. First, as a bias to the conventional momentum update to encourage conformity of the local features of the loss function (e.g. local minima) across mini-batches to improve generalization and the cumulative training progress made per epoch. Second, as an alternative direction for "exploration" in the parameter space, especially, for non-convex objectives, that exploits both the optimistic and pessimistic views of the loss function in the face of uncertainty. We also introduce a novel data-driven stochastic regularization technique through the parameter update rule that is model-agnostic and compatible with arbitrary architectures. We further establish connections to probability distributions over loss functions and the REINFORCE policy gradient update with baseline in RL. Finally, we incorporate the new variants of momentum proposed into Adam, and empirically show that our methods improve the rate of convergence of training based on our experiments on the MNIST and CIFAR-10 datasets.

In this article, we introduce a novel normalization technique for neural network weight matrices, which we term weight conditioning. This approach aims to narrow the gap between the smallest and largest singular values of the weight matrices, resulting in better-conditioned matrices. The inspiration for this technique partially derives from numerical linear algebra, where well-conditioned matrices are known to facilitate stronger convergence results for iterative solvers. We provide a theoretical foundation demonstrating that our normalization technique smoothens the loss landscape, thereby enhancing convergence of stochastic gradient descent algorithms. Empirically, we validate our normalization across various neural network architectures, including Convolutional Neural Networks (CNNs), Vision Transformers (ViT), Neural Radiance Fields (NeRF), and 3D shape modeling. Our findings indicate that our normalization method is not only competitive but also outperforms existing weight normalization techniques from the literature.

Transformers have achieved great success in machine learning applications. Normalization techniques, such as Layer Normalization (LayerNorm, LN) and Root Mean Square Normalization (RMSNorm), play a critical role in accelerating and stabilizing the training of Transformers. While LayerNorm recenters and rescales input vectors, RMSNorm only rescales the vectors by their RMS value. Despite being more computationally efficient, RMSNorm may compromise the representation ability of Transformers. There is currently no consensus regarding the preferred normalization technique, as some models employ LayerNorm while others utilize RMSNorm, especially in recent large language models. It is challenging to convert Transformers with one normalization to the other type. While there is an ongoing disagreement between the two normalization types, we propose a solution to unify two mainstream Transformer architectures, Pre-LN and Pre-RMSNorm Transformers. By removing the inherent redundant mean information in the main branch of Pre-LN Transformers, we can reduce LayerNorm to RMSNorm, achieving higher efficiency. We further propose the Compressed RMSNorm (CRMSNorm) and Pre-CRMSNorm Transformer based on a lossless compression of the zero-mean vectors. We formally establish the equivalence of Pre-LN, Pre-RMSNorm, and Pre-CRMSNorm Transformer variants in both training and inference. It implies that Pre-LN Transformers can be substituted with Pre-(C)RMSNorm counterparts at almost no cost, offering the same arithmetic functionality along with free efficiency improvement. Experiments demonstrate that we can reduce the training and inference time of Pre-LN Transformers by 1% - 10%.

We present a class of novel optimisers for training neural networks that makes use of the Riemannian metric naturally induced when the loss landscape is embedded in higher-dimensional space. This is the same metric that underlies common visualisations of loss landscapes. By taking this geometric perspective literally and using the induced metric, we develop a new optimiser and compare it to existing methods, namely: SGD, Adam, AdamW, and Muon, across a range of tasks and architectures. Empirically, we conclude that this new class of optimisers is highly effective in low dimensional examples, and provides slight improvement over state-of-the-art methods for training neural networks. These new optimisers have theoretically desirable properties. In particular, the effective learning rate is automatically decreased in regions of high curvature acting as a smoothed out form of gradient clipping. Similarly, one variant of these optimisers can also be viewed as inducing an effective scheduled learning rate and decoupled weight decay is the natural choice from our geometric perspective. The basic method can be used to modify any existing preconditioning method. The new optimiser has a computational complexity comparable to that of Adam.

Modern deep neural networks (DNNs) have achieved state-of-the-art performances but are typically over-parameterized. The over-parameterization may result in undesirably large generalization error in the absence of other customized training strategies. Recently, a line of research under the name of Sharpness-Aware Minimization (SAM) has shown that minimizing a sharpness measure, which reflects the geometry of the loss landscape, can significantly reduce the generalization error. However, SAM-like methods incur a two-fold computational overhead of the given base optimizer (e.g. SGD) for approximating the sharpness measure. In this paper, we propose Sharpness-Aware Training for Free, or SAF, which mitigates the sharp landscape at almost zero additional computational cost over the base optimizer. Intuitively, SAF achieves this by avoiding sudden drops in the loss in the sharp local minima throughout the trajectory of the updates of the weights. Specifically, we suggest a novel trajectory loss, based on the KL-divergence between the outputs of DNNs with the current weights and past weights, as a replacement of the SAM's sharpness measure. This loss captures the rate of change of the training loss along the model's update trajectory. By minimizing it, SAF ensures the convergence to a flat minimum with improved generalization capabilities. Extensive empirical results show that SAF minimizes the sharpness in the same way that SAM does, yielding better results on the ImageNet dataset with essentially the same computational cost as the base optimizer.

We introduce Invariant Risk Minimization (IRM), a learning paradigm to estimate invariant correlations across multiple training distributions. To achieve this goal, IRM learns a data representation such that the optimal classifier, on top of that data representation, matches for all training distributions. Through theory and experiments, we show how the invariances learned by IRM relate to the causal structures governing the data and enable out-of-distribution generalization.

The demand for efficient natural language processing (NLP) systems has led to the development of lightweight language models. Previous work in this area has primarily focused on manual design or training-based neural architecture search (NAS) methods. Recently, zero-shot NAS methods have been proposed for evaluating language models without the need for training. However, prevailing approaches to zero-shot NAS often face challenges such as biased evaluation metrics and computational inefficiencies. In this paper, we introduce weight-weighted PCA (W-PCA), a novel zero-shot NAS method specifically tailored for lightweight language models. Our approach utilizes two evaluation proxies: the parameter count and the number of principal components with cumulative contribution exceeding eta in the feed-forward neural (FFN) layer. Additionally, by eliminating the need for gradient computations, we optimize the evaluation time, thus enhancing the efficiency of designing and evaluating lightweight language models. We conduct a comparative analysis on the GLUE and SQuAD datasets to evaluate our approach. The results demonstrate that our method significantly reduces training time compared to one-shot NAS methods and achieves higher scores in the testing phase compared to previous state-of-the-art training-based methods. Furthermore, we perform ranking evaluations on a dataset sampled from the FlexiBERT search space. Our approach exhibits superior ranking correlation and further reduces solving time compared to other zero-shot NAS methods that require gradient computation.

We study the text generation task under the approach of pre-trained language models (PLMs). Typically, an auto-regressive (AR) method is adopted for generating texts in a token-by-token manner. Despite many advantages of AR generation, it usually suffers from inefficient inference. Therefore, non-autoregressive (NAR) models are proposed to generate all target tokens simultaneously. However, NAR models usually generate texts of lower quality due to the absence of token dependency in the output text. In this paper, we propose ELMER: an efficient and effective PLM for NAR text generation to explicitly model the token dependency during NAR generation. By leveraging the early exit technique, ELMER enables the token generations at different layers, according to their prediction confidence (a more confident token will exit at a lower layer). Besides, we propose a novel pre-training objective, Layer Permutation Language Modeling, to pre-train ELMER by permuting the exit layer for each token in sequences. Experiments on three text generation tasks show that ELMER significantly outperforms NAR models and further narrows the performance gap with AR PLMs (\eg ELMER (29.92) vs BART (30.61) ROUGE-L in XSUM) while achieving over 10 times inference speedup.

Modern Large Language Models, such as the LLaMA, Qwen and DeepSeek series, predominantly adopt the Pre-LayerNorm (Pre-LN) Transformer architecture. While being stable during pretraining and scalable to large model sizes, Pre-LN suffers from an exponential growth in activation variance across layers, causing the residual path to dominate over sub-layer outputs and limiting the learning capacity of deeper layers. To mitigate this issue, we propose Gradient-Preserving Activation Scaling (GPAS), a simple technique that can be used in combination with existing approaches. GPAS works by scaling down the intermediate activations while keeping their gradients unchanged. This leaves information in the activations intact, and avoids the gradient vanishing problem associated with gradient downscaling. Extensive experiments across various model sizes from 71M to 1B show that GPAS achieves consistent performance gains. Beyond enhancing Pre-LN Transformers, GPAS also shows promise in improving alternative architectures such as Sandwich-LN and DeepNorm, demonstrating its versatility and potential for improving training dynamics in a wide range of settings.

Adapting language models (LMs) to novel domains is often achieved through fine-tuning a pre-trained LM (PLM) on domain-specific data. Fine-tuning introduces new knowledge into an LM, enabling it to comprehend and efficiently perform a target domain task. Fine-tuning can however be inadvertently insensitive if it ignores the wide array of disparities (e.g in word meaning) between source and target domains. For instance, words such as chronic and pressure may be treated lightly in social conversations, however, clinically, these words are usually an expression of concern. To address insensitive fine-tuning, we propose Mask Specific Language Modeling (MSLM), an approach that efficiently acquires target domain knowledge by appropriately weighting the importance of domain-specific terms (DS-terms) during fine-tuning. MSLM jointly masks DS-terms and generic words, then learns mask-specific losses by ensuring LMs incur larger penalties for inaccurately predicting DS-terms compared to generic words. Results of our analysis show that MSLM improves LMs sensitivity and detection of DS-terms. We empirically show that an optimal masking rate not only depends on the LM, but also on the dataset and the length of sequences. Our proposed masking strategy outperforms advanced masking strategies such as span- and PMI-based masking.

In recent years, large language models (LLMs) have achieved remarkable success in natural language processing (NLP). LLMs require an extreme amount of parameters to attain high performance. As models grow into the trillion-parameter range, computational and memory costs increase significantly. This makes it difficult for many researchers to access the resources needed to train or apply these models. Optimizing LLM performance involves two main approaches: fine-tuning pre-trained models for specific tasks to achieve state-of-the-art performance, and reducing costs or improving training time while maintaining similar performance. This paper presents a systematic literature review (SLR) following the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) statement. We reviewed 65 publications out of 983 from 2017 to December 2023, retrieved from 5 databases. The study presents methods to optimize and accelerate LLMs while achieving cutting-edge results without sacrificing accuracy. We begin with an overview of the development of language modeling, followed by a detailed explanation of commonly used frameworks and libraries, and a taxonomy for improving and speeding up LLMs based on three classes: LLM training, LLM inference, and system serving. We then delve into recent optimization and acceleration strategies such as training optimization, hardware optimization, scalability and reliability, accompanied by the taxonomy and categorization of these strategies. Finally, we provide an in-depth comparison of each class and strategy, with two case studies on optimizing model training and enhancing inference efficiency. These case studies showcase practical approaches to address LLM resource limitations while maintaining performance.

Recent Large-Language Models (LLMs) pruning methods typically operate at the post-training phase without the expensive weight finetuning, however, their pruning criteria often rely on heuristically hand-crafted metrics, potentially leading to suboptimal performance. We instead propose a novel optimization-based structural pruning that learns the pruning masks in a probabilistic space directly by optimizing the loss of the pruned model. To preserve efficiency, our method eliminates the back-propagation through the LLM per se during optimization, requiring only the forward pass of the LLM. We achieve this by learning an underlying Bernoulli distribution to sample binary pruning masks, where we decouple the Bernoulli parameters from LLM loss, facilitating efficient optimization via policy gradient estimator without back-propagation. Thus, our method can 1) support global and heterogeneous pruning (i.e., automatically determine different redundancy for different layers), and 2) optionally initialize with a metric-based method (for our Bernoulli distributions). Extensive experiments conducted on LLaMA, LLaMA-2, LLaMA-3, Vicuna, and Mistral models using the C4 and WikiText2 datasets demonstrate the promising performance of our method in efficiency and effectiveness. Code is available at https://github.com/ethanygao/backprop-free_LLM_pruning.

Large language models (LLMs) exhibit remarkable reasoning abilities, allowing them to generalize across a wide range of downstream tasks, such as commonsense reasoning or instruction following. However, as LLMs scale, inference costs become increasingly prohibitive, accumulating significantly over their life cycle. This poses the question: Can we compress pre-trained LLMs to meet diverse size and latency requirements? We leverage Neural Architecture Search (NAS) to compress LLMs by pruning structural components, such as attention heads, neurons, and layers, aiming to achieve a Pareto-optimal balance between performance and efficiency. While NAS already achieved promising results on small language models in previous work, in this paper we propose various extensions that allow us to scale to LLMs. Compared to structural pruning baselines, we show that NAS improves performance up to 3.4% on MMLU with an on-device latency speedup.

Despite being the standard loss function to train multi-class neural networks, the log-softmax has two potential limitations. First, it involves computations that scale linearly with the number of output classes, which can restrict the size of problems we are able to tackle with current hardware. Second, it remains unclear how close it matches the task loss such as the top-k error rate or other non-differentiable evaluation metrics which we aim to optimize ultimately. In this paper, we introduce an alternative classification loss function, the Z-loss, which is designed to address these two issues. Unlike the log-softmax, it has the desirable property of belonging to the spherical loss family (Vincent et al., 2015), a class of loss functions for which training can be performed very efficiently with a complexity independent of the number of output classes. We show experimentally that it significantly outperforms the other spherical loss functions previously investigated. Furthermore, we show on a word language modeling task that it also outperforms the log-softmax with respect to certain ranking scores, such as top-k scores, suggesting that the Z-loss has the flexibility to better match the task loss. These qualities thus makes the Z-loss an appealing candidate to train very efficiently large output networks such as word-language models or other extreme classification problems. On the One Billion Word (Chelba et al., 2014) dataset, we are able to train a model with the Z-loss 40 times faster than the log-softmax and more than 4 times faster than the hierarchical softmax.

Optimizers are crucial for the efficient training of Large Language Models (LLMs). While AdamW is the de facto standard, recent structure-aware optimizers like Muon have emerged, which regularize gradient updates by operating on entire weight matrices. The Muon optimizer balances the gradient updates along all the directions. However, Muon's reliance on the matrix sign function can lead to training instability, exhibits incompatibility when fine-tuning models pre-trained with AdamW. To address these limitations, we propose REG, a novel optimizer that replaces Muon's aggressive matrix sign operator with the Row-and-Column-Scaling (RACS) operator. Theoretically grounded in balancing a matrix, the RACS operator regularizes the update steps in a less drastic manner, making it simpler to implement and more compatible with established training dynamics. Through extensive empirical experiments on LLM training, we demonstrate that our REG optimizer not only achieves superior performance and stability over AdamW, but also maintains consistency with the AdamW training paradigm. This consistency is particularly evident during the fine-tuning stage, where REG optimizer avoids the performance degradation observed with Muon.

Semantic image segmentation, the process of classifying each pixel in an image into a particular class, plays an important role in many visual understanding systems. As the predominant criterion for evaluating the performance of statistical models, loss functions are crucial for shaping the development of deep learning-based segmentation algorithms and improving their overall performance. To aid researchers in identifying the optimal loss function for their particular application, this survey provides a comprehensive and unified review of 25 loss functions utilized in image segmentation. We provide a novel taxonomy and thorough review of how these loss functions are customized and leveraged in image segmentation, with a systematic categorization emphasizing their significant features and applications. Furthermore, to evaluate the efficacy of these methods in real-world scenarios, we propose unbiased evaluations of some distinct and renowned loss functions on established medical and natural image datasets. We conclude this review by identifying current challenges and unveiling future research opportunities. Finally, we have compiled the reviewed studies that have open-source implementations on our GitHub page.

L_2 regularization and weight decay regularization are equivalent for standard stochastic gradient descent (when rescaled by the learning rate), but as we demonstrate this is not the case for adaptive gradient algorithms, such as Adam. While common implementations of these algorithms employ L_2 regularization (often calling it "weight decay" in what may be misleading due to the inequivalence we expose), we propose a simple modification to recover the original formulation of weight decay regularization by decoupling the weight decay from the optimization steps taken w.r.t. the loss function. We provide empirical evidence that our proposed modification (i) decouples the optimal choice of weight decay factor from the setting of the learning rate for both standard SGD and Adam and (ii) substantially improves Adam's generalization performance, allowing it to compete with SGD with momentum on image classification datasets (on which it was previously typically outperformed by the latter). Our proposed decoupled weight decay has already been adopted by many researchers, and the community has implemented it in TensorFlow and PyTorch; the complete source code for our experiments is available at https://github.com/loshchil/AdamW-and-SGDW

Neural networks are trained by choosing an architecture and training the parameters. The choice of architecture is often by trial and error or with Neural Architecture Search (NAS) methods. While NAS provides some automation, it often relies on discrete steps that optimize the architecture and then train the parameters. We introduce a novel neural network training framework that fundamentally transforms the process by learning architecture and parameters simultaneously with gradient descent. With the appropriate setting of the loss function, it can discover sparse and compact neural networks for given datasets. Central to our approach is a multi-scale encoder-decoder, in which the encoder embeds pairs of neural networks with similar functionalities close to each other (irrespective of their architectures and weights). To train a neural network with a given dataset, we randomly sample a neural network embedding in the embedding space and then perform gradient descent using our custom loss function, which incorporates a sparsity penalty to encourage compactness. The decoder generates a neural network corresponding to the embedding. Experiments demonstrate that our framework can discover sparse and compact neural networks maintaining a high performance.

The growing use of generative models in daily life calls for efficient mechanisms to control their generation, to e.g., produce safe content or provide users with tools to explore style changes. Ideally, such mechanisms should require low volume of unpaired data (i.e., without explicit preference), and should be cheap, both at train and inference time, while preserving output quality. Recent research has shown that such mechanisms can be obtained by intervening exclusively on model activations, with the goal of correcting distributional differences between activations seen when using prompts from a source vs. a target set (e.g., toxic and non-toxic sentences). While cheap, these fast methods are inherently crude: their maps are tuned locally, not accounting for their impact on downstream layers, resulting in interventions that cause unintended shifts when used out-of-sample. We propose in this work linear end-to-end activation steering (LinEAS), an approach trained with a global loss that accounts simultaneously for all layer-wise distributional shifts. In addition to being more robust, the loss used to train LinEAS can be regularized with sparsifying norms, which can automatically carry out neuron selection. LinEAS only requires a handful of unpaired samples to be effective, and beats similar baselines on toxicity mitigation in language models, becoming competitive with oracle-dependent methods that have access to strong supervision. LinEAS is modality-agnostic and we empirically find that it outperforms existing activation steering methods at mitigating and including new concepts at the output of single-step text-to-image generation models.

Cross-entropy is a widely used loss function in applications. It coincides with the logistic loss applied to the outputs of a neural network, when the softmax is used. But, what guarantees can we rely on when using cross-entropy as a surrogate loss? We present a theoretical analysis of a broad family of loss functions, comp-sum losses, that includes cross-entropy (or logistic loss), generalized cross-entropy, the mean absolute error and other cross-entropy-like loss functions. We give the first H-consistency bounds for these loss functions. These are non-asymptotic guarantees that upper bound the zero-one loss estimation error in terms of the estimation error of a surrogate loss, for the specific hypothesis set H used. We further show that our bounds are tight. These bounds depend on quantities called minimizability gaps. To make them more explicit, we give a specific analysis of these gaps for comp-sum losses. We also introduce a new family of loss functions, smooth adversarial comp-sum losses, that are derived from their comp-sum counterparts by adding in a related smooth term. We show that these loss functions are beneficial in the adversarial setting by proving that they admit H-consistency bounds. This leads to new adversarial robustness algorithms that consist of minimizing a regularized smooth adversarial comp-sum loss. While our main purpose is a theoretical analysis, we also present an extensive empirical analysis comparing comp-sum losses. We further report the results of a series of experiments demonstrating that our adversarial robustness algorithms outperform the current state-of-the-art, while also achieving a superior non-adversarial accuracy.

Recently, flat minima are proven to be effective for improving generalization and sharpness-aware minimization (SAM) achieves state-of-the-art performance. Yet the current definition of flatness discussed in SAM and its follow-ups are limited to the zeroth-order flatness (i.e., the worst-case loss within a perturbation radius). We show that the zeroth-order flatness can be insufficient to discriminate minima with low generalization error from those with high generalization error both when there is a single minimum or multiple minima within the given perturbation radius. Thus we present first-order flatness, a stronger measure of flatness focusing on the maximal gradient norm within a perturbation radius which bounds both the maximal eigenvalue of Hessian at local minima and the regularization function of SAM. We also present a novel training procedure named Gradient norm Aware Minimization (GAM) to seek minima with uniformly small curvature across all directions. Experimental results show that GAM improves the generalization of models trained with current optimizers such as SGD and AdamW on various datasets and networks. Furthermore, we show that GAM can help SAM find flatter minima and achieve better generalization.

Despite rapid advancements in the research and deployment of large language models (LLMs), the statistical distribution of model parameters, as well as their influence on initialization, training dynamics, and downstream efficiency, has received surprisingly little attention. A recent work introduced BackSlash, a training-time compression algorithm. It first demonstrated that pre-trained LLM parameters follow generalized Gaussian distributions (GGDs) better. By optimizing GG priors during training, BackSlash can reduce parameters by up to 90\% with minimal performance loss. Building on this foundational insight, we propose a unified, end-to-end framework for LLM optimization based on the GG model. Our contributions are threefold: (1) GG-based initialization scheme that aligns with the statistical structure of trained models, resulting in faster convergence and improved accuracy; (2) DeepShape, a post-training regularization method that reshapes weight distributions to match a GG profile, improving compressibility with minimized degradation in performance; and (3) RF8, a compact and hardware-efficient 8-bit floating-point format designed for GG-distributed-initialized BackSlash training, enabling low-cost inference without compromising accuracy. Experiments across diverse model architectures show that our framework consistently yields smaller and faster models that match or outperform standard training baselines. By grounding LLM development in principled statistical modeling, this work forges a new path toward efficient, scalable, and hardware-aware AI systems. The code is available on our project page: https://huggingface.co/spaces/shifeng3711/gg_prior.

Neural architecture search (NAS) has allowed for the automatic creation of new and effective neural network architectures, offering an alternative to the laborious process of manually designing complex architectures. However, traditional NAS algorithms are slow and require immense amounts of computing power. Recent research has investigated training-free NAS metrics for image classification architectures, drastically speeding up search algorithms. In this paper, we investigate training-free NAS metrics for recurrent neural network (RNN) and BERT-based transformer architectures, targeted towards language modeling tasks. First, we develop a new training-free metric, named hidden covariance, that predicts the trained performance of an RNN architecture and significantly outperforms existing training-free metrics. We experimentally evaluate the effectiveness of the hidden covariance metric on the NAS-Bench-NLP benchmark. Second, we find that the current search space paradigm for transformer architectures is not optimized for training-free neural architecture search. Instead, a simple qualitative analysis can effectively shrink the search space to the best performing architectures. This conclusion is based on our investigation of existing training-free metrics and new metrics developed from recent transformer pruning literature, evaluated on our own benchmark of trained BERT architectures. Ultimately, our analysis shows that the architecture search space and the training-free metric must be developed together in order to achieve effective results.

Masked Language Modeling (MLM) has been widely used as the denoising objective in pre-training language models (PrLMs). Existing PrLMs commonly adopt a Random-Token Masking strategy where a fixed masking ratio is applied and different contents are masked by an equal probability throughout the entire training. However, the model may receive complicated impact from pre-training status, which changes accordingly as training time goes on. In this paper, we show that such time-invariant MLM settings on masking ratio and masked content are unlikely to deliver an optimal outcome, which motivates us to explore the influence of time-variant MLM settings. We propose two scheduled masking approaches that adaptively tune the masking ratio and masked content in different training stages, which improves the pre-training efficiency and effectiveness verified on the downstream tasks. Our work is a pioneer study on time-variant masking strategy on ratio and content and gives a better understanding of how masking ratio and masked content influence the MLM pre-training.

Regularizing neural networks is important for anticipating model behavior in regions of the data space that are not well represented. In this work, we propose a regularization technique for enforcing a level of smoothness in the mapping between the data input space and the loss value. We specify the level of regularity by requiring that the loss of the network satisfies an elliptic operator over the data domain. To do this, we modify the usual empirical risk minimization objective such that we instead minimize a new objective that satisfies an elliptic operator over points within the domain. This allows us to use existing theory on elliptic operators to anticipate the behavior of the error for points outside the training set. We propose a tractable computational method that approximates the behavior of the elliptic operator while being computationally efficient. Finally, we analyze the properties of the proposed regularization to understand the performance on common problems of distribution shift and group imbalance. Numerical experiments confirm the utility of the proposed regularization technique.

In deep metric learning, the Triplet Loss has emerged as a popular method to learn many computer vision and natural language processing tasks such as facial recognition, object detection, and visual-semantic embeddings. One issue that plagues the Triplet Loss is network collapse, an undesirable phenomenon where the network projects the embeddings of all data onto a single point. Researchers predominately solve this problem by using triplet mining strategies. While hard negative mining is the most effective of these strategies, existing formulations lack strong theoretical justification for their empirical success. In this paper, we utilize the mathematical theory of isometric approximation to show an equivalence between the Triplet Loss sampled by hard negative mining and an optimization problem that minimizes a Hausdorff-like distance between the neural network and its ideal counterpart function. This provides the theoretical justifications for hard negative mining's empirical efficacy. In addition, our novel application of the isometric approximation theorem provides the groundwork for future forms of hard negative mining that avoid network collapse. Our theory can also be extended to analyze other Euclidean space-based metric learning methods like Ladder Loss or Contrastive Learning.

We consider minimizing functions for which it is expensive to compute the (possibly stochastic) gradient. Such functions are prevalent in reinforcement learning, imitation learning and adversarial training. Our target optimization framework uses the (expensive) gradient computation to construct surrogate functions in a target space (e.g. the logits output by a linear model for classification) that can be minimized efficiently. This allows for multiple parameter updates to the model, amortizing the cost of gradient computation. In the full-batch setting, we prove that our surrogate is a global upper-bound on the loss, and can be (locally) minimized using a black-box optimization algorithm. We prove that the resulting majorization-minimization algorithm ensures convergence to a stationary point of the loss. Next, we instantiate our framework in the stochastic setting and propose the SSO algorithm, which can be viewed as projected stochastic gradient descent in the target space. This connection enables us to prove theoretical guarantees for SSO when minimizing convex functions. Our framework allows the use of standard stochastic optimization algorithms to construct surrogates which can be minimized by any deterministic optimization method. To evaluate our framework, we consider a suite of supervised learning and imitation learning problems. Our experiments indicate the benefits of target optimization and the effectiveness of SSO.

Language model (LM) decoding is based on the next-token prediction (NTP) probability distribution. For neural LMs (e.g., Transformer-based), NTP distribution is essentially a softmax-regularized dot product between an encoded input context (query) and fixed vocabulary representations (keys). In this paper, we study the effect of the key distribution on the NTP distribution, with a focus on whether the similarity between keys will trigger spurious correlations in NTP. Through knowledge-probing tasks, we show that in the NTP distribution, the few top-ranked tokens are typically accurate. However, the middle-ranked prediction is highly biased towards the tokens that are distributionally (not necessarily semantically) similar to these top ones. For instance, if "P" is predicted as the top-1 token, "A"-"Z" will all be ranked high in NTP, no matter whether they can lead to correct decoding results. This hurts the sampling diversity and makes the sampling of correct, long-tail results hopeless and noisy. We attempt to alleviate this issue via a novel in-context method that iteratively pushes the query representation away from explored regions. Specifically, we include the explored decoding results in the context and prompt the LM to generate something else, which encourages the LM to produce a query representation that has small dot products with explored keys. Experiments on knowledge-probing tasks show that our method leads to efficient navigation away from explored keys to correct new keys. We further extend our method to open-ended and chain-of-thought (for reasoning) generation. Experiment results show that ICN contributes to better generation diversity and improved self-consistency voting performance. Finally, we discuss potential training issues caused by the fixed key space together with the challenges and possible ways to address them in future research.

Loss functions serve as the foundation of supervised learning and are often chosen prior to model development. To avoid potentially ad hoc choices of losses, statistical decision theory describes a desirable property for losses known as properness, which asserts that Bayes' rule is optimal. Recent works have sought to learn losses and models jointly. Existing methods do this by fitting an inverse canonical link function which monotonically maps R to [0,1] to estimate probabilities for binary problems. In this paper, we extend monotonicity to maps between R^{C-1} and the projected probability simplex Delta^{C-1} by using monotonicity of gradients of convex functions. We present {\sc LegendreTron} as a novel and practical method that jointly learns proper canonical losses and probabilities for multiclass problems. Tested on a benchmark of domains with up to 1,000 classes, our experimental results show that our method consistently outperforms the natural multiclass baseline under a t-test at 99% significance on all datasets with greater than 10 classes.

Deep learning algorithms can fare poorly when the training dataset suffers from heavy class-imbalance but the testing criterion requires good generalization on less frequent classes. We design two novel methods to improve performance in such scenarios. First, we propose a theoretically-principled label-distribution-aware margin (LDAM) loss motivated by minimizing a margin-based generalization bound. This loss replaces the standard cross-entropy objective during training and can be applied with prior strategies for training with class-imbalance such as re-weighting or re-sampling. Second, we propose a simple, yet effective, training schedule that defers re-weighting until after the initial stage, allowing the model to learn an initial representation while avoiding some of the complications associated with re-weighting or re-sampling. We test our methods on several benchmark vision tasks including the real-world imbalanced dataset iNaturalist 2018. Our experiments show that either of these methods alone can already improve over existing techniques and their combination achieves even better performance gains.

We study the problem of learning a single neuron with respect to the L_2^2-loss in the presence of adversarial label noise. We give an efficient algorithm that, for a broad family of activations including ReLUs, approximates the optimal L_2^2-error within a constant factor. Our algorithm applies under much milder distributional assumptions compared to prior work. The key ingredient enabling our results is a novel connection to local error bounds from optimization theory.

Adaptive optimizers such as Adam (Kingma & Ba, 2015) have been central to the success of large language models. However, they often require to maintain optimizer states throughout training, which can result in memory requirements several times greater than the model footprint. This overhead imposes constraints on scalability and computational efficiency. Stochastic Gradient Descent (SGD), in contrast, is a stateless optimizer, as it does not track state variables during training. Consequently, it achieves optimal memory efficiency. However, its capability in LLM training is limited (Zhao et al., 2024b). In this work, we show that pre-processing SGD in a stateless manner can achieve the same performance as the Adam optimizer for LLM training, while drastically reducing the memory cost. Specifically, we propose to pre-process the instantaneous stochastic gradients using normalization and whitening. We show that normalization stabilizes gradient distributions, and whitening counteracts the local curvature of the loss landscape. This results in SWAN (SGD with Whitening And Normalization), a stochastic optimizer that eliminates the need to store any optimizer states. Empirically, SWAN has the same memory footprint as SGD, achieving approx 50% reduction on total end-to-end memory compared to Adam. In language modeling tasks, SWAN demonstrates comparable or even better performance than Adam: when pre-training the LLaMA model with 350M and 1.3B parameters, SWAN achieves a 2x speedup by reaching the same evaluation perplexity using half as many tokens.

Large language models (LLMs) have been increasingly employed for (interactive) decision-making, via the development of LLM-based autonomous agents. Despite their emerging successes, the performance of LLM agents in decision-making has not been fully investigated through quantitative metrics, especially in the multi-agent setting when they interact with each other, a typical scenario in real-world LLM-agent applications. To better understand the limits of LLM agents in these interactive environments, we propose to study their interactions in benchmark decision-making settings in online learning and game theory, through the performance metric of regret. We first empirically study the {no-regret} behaviors of LLMs in canonical (non-stationary) online learning problems, as well as the emergence of equilibria when LLM agents interact through playing repeated games. We then provide some theoretical insights into the no-regret behaviors of LLM agents, under certain assumptions on the supervised pre-training and the rationality model of human decision-makers who generate the data. Notably, we also identify (simple) cases where advanced LLMs such as GPT-4 fail to be no-regret. To promote the no-regret behaviors, we propose a novel unsupervised training loss of regret-loss, which, in contrast to the supervised pre-training loss, does not require the labels of (optimal) actions. We then establish the statistical guarantee of generalization bound for regret-loss minimization, followed by the optimization guarantee that minimizing such a loss may automatically lead to known no-regret learning algorithms. Our further experiments demonstrate the effectiveness of our regret-loss, especially in addressing the above ``regrettable'' cases.

Multilingual understanding models (or encoder-based), pre-trained via masked language modeling, have achieved promising results on many language understanding tasks (e.g., mBERT). However, these non-autoregressive (NAR) models still struggle to generate high-quality texts compared with autoregressive (AR) models. Considering that encoder-based models have the advantage of efficient generation and self-correction abilities, this paper explores methods to empower multilingual understanding models the generation abilities to get a unified model. Specifically, we start from a multilingual encoder (XLM-R) and propose a Semantic-Guided Alignment-then-Denoising (SGA) approach to adapt an encoder to a multilingual generator with a small number of new parameters. Experiments show that the proposed approach is an effective adaption method, outperforming widely-used initialization-based methods with gains of 9.4 BLEU on machine translation, 8.1 Rouge-L on question generation, and 5.5 METEOR on story generation on XLM-R_{large}. On the other hand, we observe that XLM-R is still inferior to mBART in supervised settings despite better results on zero-shot settings, indicating that more exploration is required to make understanding models strong generators.

The Invariant Risk Minimization (IRM) principle was first proposed by Arjovsky et al. [2019] to address the domain generalization problem by leveraging data heterogeneity from differing experimental conditions. Specifically, IRM seeks to find a data representation under which an optimal classifier remains invariant across all domains. Despite the conceptual appeal of IRM, the effectiveness of the originally proposed invariance penalty has recently been brought into question. In particular, there exists counterexamples for which that invariance penalty can be arbitrarily small for non-invariant data representations. We propose an alternative invariance penalty by revisiting the Gramian matrix of the data representation. We discuss the role of its eigenvalues in the relationship between the risk and the invariance penalty, and demonstrate that it is ill-conditioned for said counterexamples. The proposed approach is guaranteed to recover an invariant representation for linear settings under mild non-degeneracy conditions. Its effectiveness is substantiated by experiments on DomainBed and InvarianceUnitTest, two extensive test beds for domain generalization.

The field of neural machine translation (NMT) has changed with the advent of large language models (LLMs). Much of the recent emphasis in natural language processing (NLP) has been on modeling machine translation and many other problems using a single pre-trained Transformer decoder, while encoder-decoder architectures, which were the standard in earlier NMT models, have received relatively less attention. In this paper, we explore translation models that are universal, efficient, and easy to optimize, by marrying the world of LLMs with the world of NMT. We apply LLMs to NMT encoding and leave the NMT decoder unchanged. We also develop methods for adapting LLMs to work better with the NMT decoder. Furthermore, we construct a new dataset involving multiple tasks to assess how well the machine translation system generalizes across various tasks. Evaluations on the WMT and our datasets show that results using our method match or surpass a range of baselines in terms of translation quality, but achieve 2.4 sim 6.5 times inference speedups and a 75% reduction in the memory footprint of the KV cache. It also demonstrates strong generalization across a variety of translation-related tasks.

Optimizing data mixtures for supervised fine-tuning (SFT) of large language models (LLMs) is critical for developing general-purpose models, yet this area remains underexplored. In this paper, we frame data mixing as an optimization problem and introduce a novel method designed to minimize validation loss. Our approach parametrizes the loss by modeling effective data transferred and leveraging scaling laws for fine-tuning. By experimenting with various small-scale data mixtures, we fit these parameters and derive the optimal weights. We provide both mathematical proofs and empirical results demonstrating that our algorithm achieves excellent overall and individual performance across all domains. Through controlled experiments, we show that models trained with our optimized weights perform on par with those using optimal weights determined via grid search, with per-domain loss only 0.66% higher than the best domain loss from grid search on average. Additionally, we show that reweighting popular SFT datasets using our method improves both validation loss and downstream performance. Finally, we discuss how our method can generalize to guide data selection for domain-specific models and provide insights into SFT.

Text generation models are notoriously vulnerable to errors in the training data. With the wide-spread availability of massive amounts of web-crawled data becoming more commonplace, how can we enhance the robustness of models trained on a massive amount of noisy web-crawled text? In our work, we propose Error Norm Truncation (ENT), a robust enhancement method to the standard training objective that truncates noisy data. Compared to methods that only uses the negative log-likelihood loss to estimate data quality, our method provides a more accurate estimation by considering the distribution of non-target tokens, which is often overlooked by previous work. Through comprehensive experiments across language modeling, machine translation, and text summarization, we show that equipping text generation models with ENT improves generation quality over standard training and previous soft and hard truncation methods. Furthermore, we show that our method improves the robustness of models against two of the most detrimental types of noise in machine translation, resulting in an increase of more than 2 BLEU points over the MLE baseline when up to 50% of noise is added to the data.

While large language models (LLMs) have emerged as a significant advancement in artificial intelligence, the hardware and computational costs for training LLMs are also significantly burdensome. Among the state-of-the-art optimizers, AdamW relies on diagonal curvature estimates and ignores structural properties, while Muon applies global spectral normalization at the expense of losing curvature information. In this study, we restriked manifold optimization methods for training LLMs, which may address both optimizers' limitations, while conventional manifold optimization methods have been largely overlooked due to the poor performance in large-scale model optimization. By innovatively projecting the momentum onto the tangent space of model parameters and constraining it on a rotational Oblique manifold, we propose a novel, powerful, and efficient optimizer **Mano** that is the first to bridge the performance gap between manifold optimization and modern optimizers. Extensive experiments on the LLaMA and Qwen3 models demonstrate that Mano consistently and significantly outperforms AdamW and Muon even with less memory consumption and computational complexity, respectively, suggesting an expanded Pareto frontier in terms of space and time efficiency.

We propose Delta L Normalization, a simple yet effective loss aggregation method tailored to the characteristic of dynamic generation lengths in Reinforcement Learning with Verifiable Rewards (RLVR). Recently, RLVR has demonstrated strong potential in improving the reasoning capabilities of large language models (LLMs), but a major challenge lies in the large variability of response lengths during training, which leads to high gradient variance and unstable optimization. Although previous methods such as GRPO, DAPO, and Dr. GRPO introduce different loss normalization terms to address this issue, they either produce biased estimates or still suffer from high gradient variance. By analyzing the effect of varying lengths on policy loss both theoretically and empirically, we reformulate the problem as finding a minimum-variance unbiased estimator. Our proposed Delta L Normalization not only provides an unbiased estimate of the true policy loss but also minimizes gradient variance in theory. Extensive experiments show that it consistently achieves superior results across different model sizes, maximum lengths, and tasks. Our code will be made public at https://github.com/zerolllin/Delta-L-Normalization.

Representing a manifold of very high-dimensional data with generative models has been shown to be computationally efficient in practice. However, this requires that the data manifold admits a global parameterization. In order to represent manifolds of arbitrary topology, we propose to learn a mixture model of variational autoencoders. Here, every encoder-decoder pair represents one chart of a manifold. We propose a loss function for maximum likelihood estimation of the model weights and choose an architecture that provides us the analytical expression of the charts and of their inverses. Once the manifold is learned, we use it for solving inverse problems by minimizing a data fidelity term restricted to the learned manifold. To solve the arising minimization problem we propose a Riemannian gradient descent algorithm on the learned manifold. We demonstrate the performance of our method for low-dimensional toy examples as well as for deblurring and electrical impedance tomography on certain image manifolds.

In the realm of recommender systems (RS), Top-K ranking metrics such as NDCG@K are the gold standard for evaluating recommendation performance. However, during the training of recommendation models, optimizing NDCG@K poses significant challenges due to its inherent discontinuous nature and the intricate Top-K truncation. Recent efforts to optimize NDCG@K have either overlooked the Top-K truncation or suffered from high computational costs and training instability. To overcome these limitations, we propose SoftmaxLoss@K (SL@K), a novel recommendation loss tailored for NDCG@K optimization. Specifically, we integrate the quantile technique to handle Top-K truncation and derive a smooth upper bound for optimizing NDCG@K to address discontinuity. The resulting SL@K loss has several desirable properties, including theoretical guarantees, ease of implementation, computational efficiency, gradient stability, and noise robustness. Extensive experiments on four real-world datasets and three recommendation backbones demonstrate that SL@K outperforms existing losses with a notable average improvement of 6.03%. The code is available at https://github.com/Tiny-Snow/IR-Benchmark.

Non-autoregressive (NAR) generation, which is first proposed in neural machine translation (NMT) to speed up inference, has attracted much attention in both machine learning and natural language processing communities. While NAR generation can significantly accelerate inference speed for machine translation, the speedup comes at the cost of sacrificed translation accuracy compared to its counterpart, autoregressive (AR) generation. In recent years, many new models and algorithms have been designed/proposed to bridge the accuracy gap between NAR generation and AR generation. In this paper, we conduct a systematic survey with comparisons and discussions of various non-autoregressive translation (NAT) models from different aspects. Specifically, we categorize the efforts of NAT into several groups, including data manipulation, modeling methods, training criterion, decoding algorithms, and the benefit from pre-trained models. Furthermore, we briefly review other applications of NAR models beyond machine translation, such as grammatical error correction, text summarization, text style transfer, dialogue, semantic parsing, automatic speech recognition, and so on. In addition, we also discuss potential directions for future exploration, including releasing the dependency of KD, reasonable training objectives, pre-training for NAR, and wider applications, etc. We hope this survey can help researchers capture the latest progress in NAR generation, inspire the design of advanced NAR models and algorithms, and enable industry practitioners to choose appropriate solutions for their applications. The web page of this survey is at https://github.com/LitterBrother-Xiao/Overview-of-Non-autoregressive-Applications.

We consider the problem of Learning from Label Proportions (LLP), a weakly supervised classification setup where instances are grouped into "bags", and only the frequency of class labels at each bag is available. Albeit, the objective of the learner is to achieve low task loss at an individual instance level. Here we propose Easyllp: a flexible and simple-to-implement debiasing approach based on aggregate labels, which operates on arbitrary loss functions. Our technique allows us to accurately estimate the expected loss of an arbitrary model at an individual level. We showcase the flexibility of our approach by applying it to popular learning frameworks, like Empirical Risk Minimization (ERM) and Stochastic Gradient Descent (SGD) with provable guarantees on instance level performance. More concretely, we exhibit a variance reduction technique that makes the quality of LLP learning deteriorate only by a factor of k (k being bag size) in both ERM and SGD setups, as compared to full supervision. Finally, we validate our theoretical results on multiple datasets demonstrating our algorithm performs as well or better than previous LLP approaches in spite of its simplicity.

Non-autoregressive translation (NAT) models are typically trained with the cross-entropy loss, which forces the model outputs to be aligned verbatim with the target sentence and will highly penalize small shifts in word positions. Latent alignment models relax the explicit alignment by marginalizing out all monotonic latent alignments with the CTC loss. However, they cannot handle non-monotonic alignments, which is non-negligible as there is typically global word reordering in machine translation. In this work, we explore non-monotonic latent alignments for NAT. We extend the alignment space to non-monotonic alignments to allow for the global word reordering and further consider all alignments that overlap with the target sentence. We non-monotonically match the alignments to the target sentence and train the latent alignment model to maximize the F1 score of non-monotonic matching. Extensive experiments on major WMT benchmarks show that our method substantially improves the translation performance of CTC-based models. Our best model achieves 30.06 BLEU on WMT14 En-De with only one-iteration decoding, closing the gap between non-autoregressive and autoregressive models.

Effective regularization techniques are highly desired in deep learning for alleviating overfitting and improving generalization. This work proposes a new regularization scheme, based on the understanding that the flat local minima of the empirical risk cause the model to generalize better. This scheme is referred to as adversarial model perturbation (AMP), where instead of directly minimizing the empirical risk, an alternative "AMP loss" is minimized via SGD. Specifically, the AMP loss is obtained from the empirical risk by applying the "worst" norm-bounded perturbation on each point in the parameter space. Comparing with most existing regularization schemes, AMP has strong theoretical justifications, in that minimizing the AMP loss can be shown theoretically to favour flat local minima of the empirical risk. Extensive experiments on various modern deep architectures establish AMP as a new state of the art among regularization schemes. Our code is available at https://github.com/hiyouga/AMP-Regularizer.

Recent studies have revealed a number of pathologies of neural machine translation (NMT) systems. Hypotheses explaining these mostly suggest there is something fundamentally wrong with NMT as a model or its training algorithm, maximum likelihood estimation (MLE). Most of this evidence was gathered using maximum a posteriori (MAP) decoding, a decision rule aimed at identifying the highest-scoring translation, i.e. the mode. We argue that the evidence corroborates the inadequacy of MAP decoding more than casts doubt on the model and its training algorithm. In this work, we show that translation distributions do reproduce various statistics of the data well, but that beam search strays from such statistics. We show that some of the known pathologies and biases of NMT are due to MAP decoding and not to NMT's statistical assumptions nor MLE. In particular, we show that the most likely translations under the model accumulate so little probability mass that the mode can be considered essentially arbitrary. We therefore advocate for the use of decision rules that take into account the translation distribution holistically. We show that an approximation to minimum Bayes risk decoding gives competitive results confirming that NMT models do capture important aspects of translation well in expectation.

Masked visual modeling has attracted much attention due to its promising potential in learning generalizable representations. Typical approaches urge models to predict specific contents of masked tokens, which can be intuitively considered as teaching a student (the model) to solve given problems (predicting masked contents). Under such settings, the performance is highly correlated with mask strategies (the difficulty of provided problems). We argue that it is equally important for the model to stand in the shoes of a teacher to produce challenging problems by itself. Intuitively, patches with high values of reconstruction loss can be regarded as hard samples, and masking those hard patches naturally becomes a demanding reconstruction task. To empower the model as a teacher, we propose Hard Patches Mining (HPM), predicting patch-wise losses and subsequently determining where to mask. Technically, we introduce an auxiliary loss predictor, which is trained with a relative objective to prevent overfitting to exact loss values. Also, to gradually guide the training procedure, we propose an easy-to-hard mask strategy. Empirically, HPM brings significant improvements under both image and video benchmarks. Interestingly, solely incorporating the extra loss prediction objective leads to better representations, verifying the efficacy of determining where is hard to reconstruct. The code is available at https://github.com/Haochen-Wang409/HPM.

We introduce Sven (Singular Value dEsceNt), a new optimization algorithm for neural networks that exploits the natural decomposition of loss functions into a sum over individual data points, rather than reducing the full loss to a single scalar before computing a parameter update. Sven treats each data point's residual as a separate condition to be satisfied simultaneously, using the Moore-Penrose pseudoinverse of the loss Jacobian to find the minimum-norm parameter update that best satisfies all conditions at once. In practice, this pseudoinverse is approximated via a truncated singular value decomposition, retaining only the k most significant directions and incurring a computational overhead of only a factor of k relative to stochastic gradient descent. This is in comparison to traditional natural gradient methods, which scale as the square of the number of parameters. We show that Sven can be understood as a natural gradient method generalized to the over-parametrized regime, recovering natural gradient descent in the under-parametrized limit. On regression tasks, Sven significantly outperforms standard first-order methods including Adam, converging faster and to a lower final loss, while remaining competitive with LBFGS at a fraction of the wall-time cost. We discuss the primary challenge to scaling, namely memory overhead, and propose mitigation strategies. Beyond standard machine learning benchmarks, we anticipate that Sven will find natural application in scientific computing settings where custom loss functions decompose into several conditions.

Large Language Models (LLMs) have demonstrated exceptional performance across diverse tasks, yet their training remains highly resource-intensive and susceptible to critical challenges such as training instability. A predominant source of this instability stems from gradient and loss spikes, which disrupt the learning process, often leading to costly interventions like checkpoint recovery and experiment restarts, further amplifying inefficiencies. This paper presents a comprehensive investigation into gradient spikes observed during LLM training, revealing their prevalence across multiple architectures and datasets. Our analysis shows that these spikes can be up to 1000times larger than typical gradients, substantially deteriorating model performance. To address this issue, we propose Spike-Aware Adam with Momentum Reset SPAM, a novel optimizer designed to counteract gradient spikes through momentum reset and spike-aware gradient clipping. Extensive experiments, including both pre-training and fine-tuning, demonstrate that SPAM consistently surpasses Adam and its variants across various tasks, including (1) LLM pre-training from 60M to 1B, (2) 4-bit LLM pre-training,(3) reinforcement learning, and (4) Time Series Forecasting. Additionally, SPAM facilitates memory-efficient training by enabling sparse momentum, where only a subset of momentum terms are maintained and updated. When operating under memory constraints, SPAM outperforms state-of-the-art memory-efficient optimizers such as GaLore and Adam-Mini. Our work underscores the importance of mitigating gradient spikes in LLM training and introduces an effective optimization strategy that enhances both training stability and resource efficiency at scale. Code is available at https://github.com/TianjinYellow/SPAM-Optimizer.git

In this work, we revisit Transformer optimization through the lens of second-order geometry and establish a direct connection between architectural design, activation scale, the Hessian matrix, and the maximum tolerable learning rate. We introduce a simple normalization strategy, termed SimpleNorm, which stabilizes intermediate activation scales by construction. Then, by analyzing the Hessian of the loss with respect to network activations, we theoretically show that SimpleNorm significantly reduces the spectral norm of the Hessian, thereby permitting larger stable learning rates. We validate our theoretical findings through extensive experiments on large GPT models at parameter scales 1B, 1.4B, 7B and 8B. Empirically, SimpleGPT, our SimpleNorm-based network, tolerates learning rates 3times-10times larger than standard convention, consistently demonstrates strong optimization stability, and achieves substantially better performance than well-established baselines. Specifically, when training 7B-scale models for 60K steps, SimpleGPT achieves a training loss that is 0.08 lower than that of LLaMA2 with QKNorm, reducing the loss from 2.290 to 2.208. Our source code will be released at https://github.com/Ocram7/SimpleGPT.

As large language models (LLMs) continue to evolve, efficient evaluation metrics are vital for assessing their ability to compress information and reduce redundancy. While traditional metrics like Matrix Entropy offer valuable insights, they are computationally intensive for large-scale models due to their \( O(n^3) \) time complexity with Singular Value Decomposition (SVD). To mitigate this issue, we introduce the Matrix Nuclear-Norm, which not only serves as a metric to quantify the data compression proficiency of LLM but also provides a convex approximation of matrix rank to capture both predictive discriminability and diversity. By employing the \( L_{1,2}-norm \) to further approximate the nuclear norm, we can effectively assess the model's information compression capabilities. This approach reduces the time complexity to \( O(n^2) \) and eliminates the need for SVD computation. Consequently, the Matrix Nuclear-Norm achieves speeds 8 to 24 times faster than Matrix Entropy for the CEREBRAS-GPT model as sizes increase from 111M to 6.7B. This performance gap becomes more pronounced with larger models, as validated in tests with other models like Pythia. Additionally, evaluations on benchmarks and model responses confirm that our proposed Matrix Nuclear-Norm is a reliable, scalable, and efficient tool for assessing LLMs' performance, striking a balance between accuracy and computational efficiency. The code is available at https://github.com/MLGroupJLU/MatrixNuclearNorm.

We develop a method for training neural networks on Boolean data in which the values at all nodes are strictly pm 1, and the resulting models are typically equivalent to networks whose nonzero weights are also pm 1. The method replaces loss minimization with a nonconvex constraint formulation. Each node implements a Boolean threshold function (BTF), and training is expressed through a divide-and-concur decomposition into two complementary constraints: one enforces local BTF consistency between inputs, weights, and output; the other imposes architectural concurrence, equating neuron outputs with downstream inputs and enforcing weight equality across training-data instantiations of the network. The reflect-reflect-relax (RRR) projection algorithm is used to reconcile these constraints. Each BTF constraint includes a lower bound on the margin. When this bound is sufficiently large, the learned representations are provably sparse and equivalent to networks composed of simple logical gates with pm 1 weights. Across a range of tasks -- including multiplier-circuit discovery, binary autoencoding, logic-network inference, and cellular automata learning -- the method achieves exact solutions or strong generalization in regimes where standard gradient-based methods struggle. These results demonstrate that projection-based constraint satisfaction provides a viable and conceptually distinct foundation for learning in discrete neural systems, with implications for interpretability and efficient inference.

Softmax Loss (SL) is widely applied in recommender systems (RS) and has demonstrated effectiveness. This work analyzes SL from a pairwise perspective, revealing two significant limitations: 1) the relationship between SL and conventional ranking metrics like DCG is not sufficiently tight; 2) SL is highly sensitive to false negative instances. Our analysis indicates that these limitations are primarily due to the use of the exponential function. To address these issues, this work extends SL to a new family of loss functions, termed Pairwise Softmax Loss (PSL), which replaces the exponential function in SL with other appropriate activation functions. While the revision is minimal, we highlight three merits of PSL: 1) it serves as a tighter surrogate for DCG with suitable activation functions; 2) it better balances data contributions; and 3) it acts as a specific BPR loss enhanced by Distributionally Robust Optimization (DRO). We further validate the effectiveness and robustness of PSL through empirical experiments. The code is available at https://github.com/Tiny-Snow/IR-Benchmark.

Masked image modeling (MIM) has attracted much research attention due to its promising potential for learning scalable visual representations. In typical approaches, models usually focus on predicting specific contents of masked patches, and their performances are highly related to pre-defined mask strategies. Intuitively, this procedure can be considered as training a student (the model) on solving given problems (predict masked patches). However, we argue that the model should not only focus on solving given problems, but also stand in the shoes of a teacher to produce a more challenging problem by itself. To this end, we propose Hard Patches Mining (HPM), a brand-new framework for MIM pre-training. We observe that the reconstruction loss can naturally be the metric of the difficulty of the pre-training task. Therefore, we introduce an auxiliary loss predictor, predicting patch-wise losses first and deciding where to mask next. It adopts a relative relationship learning strategy to prevent overfitting to exact reconstruction loss values. Experiments under various settings demonstrate the effectiveness of HPM in constructing masked images. Furthermore, we empirically find that solely introducing the loss prediction objective leads to powerful representations, verifying the efficacy of the ability to be aware of where is hard to reconstruct.

Scaling laws guide the development of large language models (LLMs) by offering estimates for the optimal balance of model size, tokens, and compute. More recently, loss-to-loss scaling laws that relate losses across pretraining datasets and downstream tasks have emerged as a powerful tool for understanding and improving LLM performance. In this work, we investigate which factors most strongly influence loss-to-loss scaling. Our experiments reveal that the pretraining data and tokenizer determine the scaling trend. In contrast, model size, optimization hyperparameters, and even significant architectural differences, such as between transformer-based models like Llama and state-space models like Mamba, have limited impact. Consequently, practitioners should carefully curate suitable pretraining datasets for optimal downstream performance, while architectures and other settings can be freely optimized for training efficiency.

We introduce the One-shot Pruning Technique for Interchangeable Networks (OPTIN) framework as a tool to increase the efficiency of pre-trained transformer architectures without requiring re-training. Recent works have explored improving transformer efficiency, however often incur computationally expensive re-training procedures or depend on architecture-specific characteristics, thus impeding practical wide-scale adoption. To address these shortcomings, the OPTIN framework leverages intermediate feature distillation, capturing the long-range dependencies of model parameters (coined trajectory), to produce state-of-the-art results on natural language, image classification, transfer learning, and semantic segmentation tasks without re-training. Given a FLOP constraint, the OPTIN framework will compress the network while maintaining competitive accuracy performance and improved throughput. Particularly, we show a leq 2% accuracy degradation from NLP baselines and a 0.5% improvement from state-of-the-art methods on image classification at competitive FLOPs reductions. We further demonstrate the generalization of tasks and architecture with comparative performance using Mask2Former for semantic segmentation and cnn-style networks. OPTIN presents one of the first one-shot efficient frameworks for compressing transformer architectures that generalizes well across different class domains, in particular: natural language and image-related tasks, without re-training.

The success of deep learning is due in large part to our ability to solve certain massive non-convex optimization problems with relative ease. Though non-convex optimization is NP-hard, simple algorithms -- often variants of stochastic gradient descent -- exhibit surprising effectiveness in fitting large neural networks in practice. We argue that neural network loss landscapes often contain (nearly) a single basin after accounting for all possible permutation symmetries of hidden units a la Entezari et al. 2021. We introduce three algorithms to permute the units of one model to bring them into alignment with a reference model in order to merge the two models in weight space. This transformation produces a functionally equivalent set of weights that lie in an approximately convex basin near the reference model. Experimentally, we demonstrate the single basin phenomenon across a variety of model architectures and datasets, including the first (to our knowledge) demonstration of zero-barrier linear mode connectivity between independently trained ResNet models on CIFAR-10. Additionally, we identify intriguing phenomena relating model width and training time to mode connectivity. Finally, we discuss shortcomings of the linear mode connectivity hypothesis, including a counterexample to the single basin theory.

Training large language models (LLMs) typically relies on adaptive optimizers like Adam (Kingma & Ba, 2015) which store additional state information to accelerate convergence but incur significant memory overhead. Recent efforts, such as SWAN (Ma et al., 2024) address this by eliminating the need for optimizer states while achieving performance comparable to Adam via a multi-step preprocessing procedure applied to instantaneous gradients. Motivated by the success of SWAN, we introduce a novel framework for designing stateless optimizers that normalizes stochastic gradients according to multiple norms. To achieve this, we propose a simple alternating scheme to enforce the normalization of gradients w.r.t these norms. We show that our procedure can produce, up to an arbitrary precision, a fixed-point of the problem, and that SWAN is a particular instance of our approach with carefully chosen norms, providing a deeper understanding of its design. However, SWAN's computationally expensive whitening/orthogonalization step limit its practicality for large LMs. Using our principled perspective, we develop of a more efficient, scalable, and practical stateless optimizer. Our algorithm relaxes the properties of SWAN, significantly reducing its computational cost while retaining its memory efficiency, making it applicable to training large-scale models. Experiments on pre-training LLaMA models with up to 1 billion parameters demonstrate a 3X speedup over Adam with significantly reduced memory requirements, outperforming other memory-efficient baselines.

We propose a novel method called Long Expressive Memory (LEM) for learning long-term sequential dependencies. LEM is gradient-based, it can efficiently process sequential tasks with very long-term dependencies, and it is sufficiently expressive to be able to learn complicated input-output maps. To derive LEM, we consider a system of multiscale ordinary differential equations, as well as a suitable time-discretization of this system. For LEM, we derive rigorous bounds to show the mitigation of the exploding and vanishing gradients problem, a well-known challenge for gradient-based recurrent sequential learning methods. We also prove that LEM can approximate a large class of dynamical systems to high accuracy. Our empirical results, ranging from image and time-series classification through dynamical systems prediction to speech recognition and language modeling, demonstrate that LEM outperforms state-of-the-art recurrent neural networks, gated recurrent units, and long short-term memory models.

Despite significant advancements, the practical deployment of Large Language Models (LLMs) is often hampered by their immense sizes, highlighting the need for effective compression techniques. Singular Value Decomposition (SVD) is a promising LLM compression technique. However, existing SVD-based compression methods fall short in reducing truncation losses, leading to less competitive performance in compressed models. In this work, we introduce SVD-LLM V2, a SVD-based LLM compression method that optimizes singular value truncation in SVD compression with two techniques. First, SVD-LLM V2 proposes to use theoretical truncation loss of weight matrices to assign a unique compression ratio to each weight matrix at different layers to accommodate weight redundancy heterogeneity. Second, SVD-LLM V2 proposes loss-optimized weight truncation to ensure that the truncated singular values result in a lower and more stable truncation loss in practice. We evaluate SVD-LLM V2 on ten datasets and five LLMs at various scales. Our results show SVD-LLM V2 outperforms state-of-the-art SVD-based LLM compression methods. Our code is available at https://github.com/AIoT-MLSys-Lab/SVD-LLM

In recent years, large language models (LLMs) have made remarkable progress, with model optimization primarily relying on gradient-based optimizers such as Adam. However, these gradient-based methods impose stringent hardware requirements, demanding high-concurrency, high-memory GPUs. Moreover, they require all neural network operations to be differentiable, thereby excluding many promising non-differentiable architectures from practical use. To address these limitations, we propose EA4LLM, an evolutionary algorithm for optimizing LLMs, and, for the first time, empirically verify full-parameter optimization from the pretraining stage across model sizes ranging from 0.5B to 32B. We conduct extensive experiments and provide key insights into how evolutionary algorithms can effectively optimize neural networks. Our work challenges the prevailing assumption that gradient-based optimization is the only viable approach for training neural networks. It also holds significant potential to reduce the computational cost of training large language models, thereby enabling groups with limited computational resources to participate in deep learning research.

Unlearning in Large Language Models (LLMs) is essential for ensuring ethical and responsible AI use, especially in addressing privacy leak, bias, safety, and evolving regulations. Existing approaches to LLM unlearning often rely on retain data or a reference LLM, yet they struggle to adequately balance unlearning performance with overall model utility. This challenge arises because leveraging explicit retain data or implicit knowledge of retain data from a reference LLM to fine-tune the model tends to blur the boundaries between the forgotten and retain data, as different queries often elicit similar responses. In this work, we propose eliminating the need to retain data or the reference LLM for response calibration in LLM unlearning. Recognizing that directly applying gradient ascent on the forget data often leads to optimization instability and poor performance, our method guides the LLM on what not to respond to, and importantly, how to respond, based on the forget data. Hence, we introduce Forget data only Loss AjustmenT (FLAT), a "flat" loss adjustment approach which addresses these issues by maximizing f-divergence between the available template answer and the forget answer only w.r.t. the forget data. The variational form of the defined f-divergence theoretically provides a way of loss adjustment by assigning different importance weights for the learning w.r.t. template responses and the forgetting of responses subject to unlearning. Empirical results demonstrate that our approach not only achieves superior unlearning performance compared to existing methods but also minimizes the impact on the model's retained capabilities, ensuring high utility across diverse tasks, including copyrighted content unlearning on Harry Potter dataset and MUSE Benchmark, and entity unlearning on the TOFU dataset.

The loss functions of many learning problems contain multiple additive terms that can disagree and yield conflicting update directions. For Physics-Informed Neural Networks (PINNs), loss terms on initial/boundary conditions and physics equations are particularly interesting as they are well-established as highly difficult tasks. To improve learning the challenging multi-objective task posed by PINNs, we propose the ConFIG method, which provides conflict-free updates by ensuring a positive dot product between the final update and each loss-specific gradient. It also maintains consistent optimization rates for all loss terms and dynamically adjusts gradient magnitudes based on conflict levels. We additionally leverage momentum to accelerate optimizations by alternating the back-propagation of different loss terms. We provide a mathematical proof showing the convergence of the ConFIG method, and it is evaluated across a range of challenging PINN scenarios. ConFIG consistently shows superior performance and runtime compared to baseline methods. We also test the proposed method in a classic multi-task benchmark, where the ConFIG method likewise exhibits a highly promising performance. Source code is available at https://tum-pbs.github.io/ConFIG

In this paper, we introduce **harmonic loss** as an alternative to the standard cross-entropy loss for training neural networks and large language models (LLMs). Harmonic loss enables improved interpretability and faster convergence, owing to its scale invariance and finite convergence point by design, which can be interpreted as a class center. We first validate the performance of harmonic models across algorithmic, vision, and language datasets. Through extensive experiments, we demonstrate that models trained with harmonic loss outperform standard models by: (a) enhancing interpretability, (b) requiring less data for generalization, and (c) reducing grokking. Moreover, we compare a GPT-2 model trained with harmonic loss to the standard GPT-2, illustrating that the harmonic model develops more interpretable representations. Looking forward, we believe harmonic loss has the potential to become a valuable tool in domains with limited data availability or in high-stakes applications where interpretability and reliability are paramount, paving the way for more robust and efficient neural network models.

Feature attribution methods (FAs), such as gradients and attention, are widely employed approaches to derive the importance of all input features to the model predictions. Existing work in natural language processing has mostly focused on developing and testing FAs for encoder-only language models (LMs) in classification tasks. However, it is unknown if it is faithful to use these FAs for decoder-only models on text generation, due to the inherent differences between model architectures and task settings respectively. Moreover, previous work has demonstrated that there is no `one-wins-all' FA across models and tasks. This makes the selection of a FA computationally expensive for large LMs since input importance derivation often requires multiple forward and backward passes including gradient computations that might be prohibitive even with access to large compute. To address these issues, we present a model-agnostic FA for generative LMs called Recursive Attribution Generator (ReAGent). Our method updates the token importance distribution in a recursive manner. For each update, we compute the difference in the probability distribution over the vocabulary for predicting the next token between using the original input and using a modified version where a part of the input is replaced with RoBERTa predictions. Our intuition is that replacing an important token in the context should have resulted in a larger change in the model's confidence in predicting the token than replacing an unimportant token. Our method can be universally applied to any generative LM without accessing internal model weights or additional training and fine-tuning, as most other FAs require. We extensively compare the faithfulness of ReAGent with seven popular FAs across six decoder-only LMs of various sizes. The results show that our method consistently provides more faithful token importance distributions.

Low-rank training has emerged as a promising approach for reducing memory usage in training Large Language Models (LLMs). Previous methods either rely on decomposing weight matrices (e.g., LoRA), or seek to decompose gradient matrices (e.g., GaLore) to ensure reduced memory consumption. However, both of them constrain the training in a low-rank subspace, thus inevitably leading to sub-optimal performance. This raises a question: whether it is possible to consistently preserve the low-rank constraint for memory efficiency, while achieving full-rank training (i.e., training with full-rank gradients of full-rank weights) to avoid inferior outcomes? In this paper, we propose a new plug-and-play training framework for LLMs called Fira, as the first attempt to achieve this goal. First, we observe an interesting phenomenon during LLM training: the scaling impact of adaptive optimizers (e.g., Adam) on the gradient norm remains similar from low-rank to full-rank training. Based on this observation, we propose a norm-based scaling method, which utilizes the scaling impact of low-rank optimizers as substitutes for that of original full-rank optimizers to enable full-rank training. In this way, we can preserve the low-rank constraint in the optimizer while achieving full-rank training for better performance. Moreover, we find that there are sudden gradient rises during the optimization process, potentially causing loss spikes. To address this, we further put forward a norm-growth limiter to smooth the gradient via regulating the relative increase of gradient norms. Extensive experiments on the pre-training and fine-tuning of LLMs show that Fira outperforms both LoRA and GaLore, achieving performance that is comparable to or even better than full-rank training.

Deep neural networks are highly performant, but might base their decision on spurious or background features that co-occur with certain classes, which can hurt generalization. To mitigate this issue, the usage of 'model guidance' has gained popularity recently: for this, models are guided to be "right for the right reasons" by regularizing the models' explanations to highlight the right features. Experimental validation of these approaches has thus far however been limited to relatively simple and / or synthetic datasets. To gain a better understanding of which model-guiding approaches actually transfer to more challenging real-world datasets, in this work we conduct an in-depth evaluation across various loss functions, attribution methods, models, and 'guidance depths' on the PASCAL VOC 2007 and MS COCO 2014 datasets, and show that model guidance can sometimes even improve model performance. In this context, we further propose a novel energy loss, show its effectiveness in directing the model to focus on object features. We also show that these gains can be achieved even with a small fraction (e.g. 1%) of bounding box annotations, highlighting the cost effectiveness of this approach. Lastly, we show that this approach can also improve generalization under distribution shifts. Code will be made available.

Although state-of-the-art LLMs can solve math problems, we find that they make errors on numerical comparisons with mixed notation: "Which is larger, 5.7 times 10^2 or 580?" This raises a fundamental question: Do LLMs even know how big these numbers are? We probe the hidden states of several smaller open-source LLMs. A single linear projection of an appropriate hidden layer encodes the log-magnitudes of both kinds of numerals, allowing us to recover the numbers with relative error of about 2.3% (on restricted synthetic text) or 19.06% (on scientific papers). Furthermore, the hidden state after reading a pair of numerals encodes their ranking, with a linear classifier achieving over 90% accuracy. Yet surprisingly, when explicitly asked to rank the same pairs of numerals, these LLMs achieve only 50-70% accuracy, with worse performance for models whose probes are less effective. Finally, we show that incorporating the classifier probe's log-loss as an auxiliary objective during finetuning brings an additional 3.22% improvement in verbalized accuracy over base models, demonstrating that improving models' internal magnitude representations can enhance their numerical reasoning capabilities.

Sparse autoencoders (SAEs) are a promising approach to extracting features from neural networks, enabling model interpretability as well as causal interventions on model internals. SAEs generate sparse feature representations using a sparsifying activation function that implicitly defines a set of token-feature matches. We frame the token-feature matching as a resource allocation problem constrained by a total sparsity upper bound. For example, TopK SAEs solve this allocation problem with the additional constraint that each token matches with at most k features. In TopK SAEs, the k active features per token constraint is the same across tokens, despite some tokens being more difficult to reconstruct than others. To address this limitation, we propose two novel SAE variants, Feature Choice SAEs and Mutual Choice SAEs, which each allow for a variable number of active features per token. Feature Choice SAEs solve the sparsity allocation problem under the additional constraint that each feature matches with at most m tokens. Mutual Choice SAEs solve the unrestricted allocation problem where the total sparsity budget can be allocated freely between tokens and features. Additionally, we introduce a new auxiliary loss function, aux_zipf_loss, which generalises the aux_k_loss to mitigate dead and underutilised features. Our methods result in SAEs with fewer dead features and improved reconstruction loss at equivalent sparsity levels as a result of the inherent adaptive computation. More accurate and scalable feature extraction methods provide a path towards better understanding and more precise control of foundation models.